Structure

Physi-Chem Properties

Molecular Weight:  270.09
Volume:  276.329
LogP:  3.879
LogD:  3.532
LogS:  -4.58
# Rotatable Bonds:  3
TPSA:  52.58
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  4

MedChem Properties

QED Drug-Likeness Score:  0.535
Synthetic Accessibility Score:  2.782
Fsp3:  0.188
Lipinski Rule-of-5:  Accepted
Pfizer Rule:  Rejected
GSK Rule:  Accepted
BMS Rule:  0
Golden Triangle Rule:  Accepted
Chelating Alert:  0
PAINS Alert:  0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:  -4.693
MDCK Permeability:  2.0168901755823754e-05
Pgp-inhibitor:  0.018
Pgp-substrate:  0.011
Human Intestinal Absorption (HIA):  0.008
20% Bioavailability (F20%):  0.004
30% Bioavailability (F30%):  0.695

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):  0.015
Plasma Protein Binding (PPB):  81.84854888916016%
Volume Distribution (VD):  0.903
Pgp-substrate:  10.731904029846191%

ADMET: Metabolism

CYP1A2-inhibitor:  0.989
CYP1A2-substrate:  0.24
CYP2C19-inhibitor:  0.898
CYP2C19-substrate:  0.07
CYP2C9-inhibitor:  0.669
CYP2C9-substrate:  0.638
CYP2D6-inhibitor:  0.694
CYP2D6-substrate:  0.569
CYP3A4-inhibitor:  0.66
CYP3A4-substrate:  0.148

ADMET: Excretion

Clearance (CL):  14.685
Half-life (T1/2):  0.497

ADMET: Toxicity

hERG Blockers:  0.037
Human Hepatotoxicity (H-HT):  0.952
Drug-inuced Liver Injury (DILI):  0.958
AMES Toxicity:  0.364
Rat Oral Acute Toxicity:  0.09
Maximum Recommended Daily Dose:  0.215
Skin Sensitization:  0.164
Carcinogencity:  0.799
Eye Corrosion:  0.003
Eye Irritation:  0.067
Respiratory Toxicity:  0.768

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Similar NPs/Drugs  

  Natural Product: NPC243509

Natural Product ID:  NPC243509
Common Name*:   Pentosalen
IUPAC Name:   9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
Synonyms:   Pentosalen
Standard InCHIKey:  OLOOJGVNMBJLLR-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3
SMILES:  CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C
Synthetic Gene Cluster:   n.a.
ChEMBL Identifier:   CHEMBL453805
PubChem CID:   10212
Chemical Classification**:  
  • CHEMONTID:0000000 [Organic compounds]
    • [CHEMONTID:0000261] Phenylpropanoids and polyketides
      • [CHEMONTID:0000145] Coumarins and derivatives
        • [CHEMONTID:0000358] Furanocoumarins
          • [CHEMONTID:0002569] Linear furanocoumarins
            • [CHEMONTID:0000202] Psoralens

*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO27288 Citrus maxima Species Rutaceae Eukaryota n.a. n.a. n.a. DOI[10.1016/S0031-9422(99)00119-3]
NPO19774 Rubus idaeus Species n.a. n.a. Fruit n.a. n.a. DOI[10.1016/S0963-9969(99)00095-2]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota n.a. root n.a. DOI[10.5012/bkcs.2003.24.11.1699]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. callus n.a. PMID[10552648]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. fruit n.a. PMID[10606547]
NPO7317 Citrus aurantium Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[10606602]
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota n.a. fruit n.a. PMID[10785419]
NPO19653 Isis hippuris Species Isididae Eukaryota n.a. n.a. n.a. PMID[11141096]
NPO2060 Garcinia parvifolia Species Clusiaceae Eukaryota n.a. n.a. n.a. PMID[12494345]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota n.a. root n.a. PMID[12510838]
NPO16675 Peucedanum japonicum Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[1453177]
NPO18674 Juglans regia Species Juglandaceae Eukaryota n.a. leaf n.a. PMID[14727919]
NPO18674 Juglans regia Species Juglandaceae Eukaryota n.a. root n.a. PMID[14727919]
NPO18674 Juglans regia Species Juglandaceae Eukaryota n.a. xylem n.a. PMID[14727919]
NPO18674 Juglans regia Species Juglandaceae Eukaryota n.a. bark n.a. PMID[14727919]
NPO11147 Spongia hispida Species Spongiidae Eukaryota n.a. n.a. n.a. PMID[1479380]
NPO12186 Oplopanax chironium Species Araliaceae Eukaryota n.a. n.a. n.a. PMID[15104479]
NPO340 Orixa japonica Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[15568765]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota n.a. root n.a. PMID[15646793]
NPO10004 Callitropsis nootkatensis Species Cupressaceae Eukaryota n.a. n.a. n.a. PMID[15962787]
NPO19653 Isis hippuris Species Isididae Eukaryota n.a. n.a. n.a. PMID[15974612]
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota Fruits n.a. n.a. PMID[16309325]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota roots purchased from Kiu Shun Trading Ltd., Vancouver, Canada 2000 PMID[16643021]
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota n.a. Seoul, Korea 2000-Jun PMID[16643034]
NPO11872 Eleutherococcus senticosus Species Araliaceae Eukaryota n.a. leaf n.a. PMID[17125224]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota n.a. root n.a. PMID[17238120]
NPO22063 Solanum lycocarpum Species Solanaceae Eukaryota n.a. n.a. n.a. PMID[17249729]
NPO5270 Citrus natsudaidai Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[17689080]
NPO16755 Saposhnikovia divaricata Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[17703773]
NPO23207 Solanum pseudocapsicum Species Solanaceae Eukaryota n.a. root n.a. PMID[17887952]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. leaf n.a. PMID[18214349]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota n.a. root n.a. PMID[18405608]
NPO18674 Juglans regia Species Juglandaceae Eukaryota n.a. pericarp n.a. PMID[18496782]
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota fruit n.a. n.a. PMID[18505286]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota n.a. root n.a. PMID[18661821]
NPO23546 Clausena lansium Species Rutaceae Eukaryota leaves n.a. n.a. PMID[19327990]
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota fruit n.a. n.a. PMID[19650637]
NPO30526 0topterygium incisum n.a. n.a. n.a. n.a. root n.a. PMID[20707067]
NPO30526 0topterygium incisum n.a. n.a. n.a. n.a. rhizome n.a. PMID[20707067]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. seed n.a. PMID[21049975]
NPO19774 Rubus idaeus Species n.a. n.a. n.a. n.a. n.a. PMID[21381697]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[21417376]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[21625478]
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[21625478]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[21627108]
NPO6125 Peucedanum ostruthium Species Apiaceae Eukaryota n.a. root n.a. PMID[21627108]
NPO6125 Peucedanum ostruthium Species Apiaceae Eukaryota n.a. rhizome n.a. PMID[21627108]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota n.a. root n.a. PMID[21657081]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[21800857]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[21800857]
NPO23546 Clausena lansium Species Rutaceae Eukaryota Stems n.a. n.a. PMID[22372931]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota Fruits n.a. n.a. PMID[22703163]
NPO15394 Angelica decursiva Species Apiaceae Eukaryota n.a. root n.a. PMID[22784551]
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota fruits n.a. n.a. PMID[22932311]
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota fruits n.a. n.a. PMID[23305920]
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota n.a. fruit n.a. PMID[23721280]
NPO21771 Citrus trifoliata Species Rutaceae Eukaryota n.a. fruit n.a. PMID[23872723]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota Fruits n.a. n.a. PMID[24328283]
NPO2715 Murraya paniculata Species Rutaceae Eukaryota n.a. leaf n.a. PMID[24354205]
NPO2715 Murraya paniculata Species Rutaceae Eukaryota n.a. twig n.a. PMID[24354205]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota n.a. aerial part n.a. PMID[24704554]
NPO23546 Clausena lansium Species Rutaceae Eukaryota Roots n.a. n.a. PMID[24798144]
NPO8874 Glehnia littoralis Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[24813739]
NPO8797 Cudrania tricuspidata Species Moraceae Eukaryota Root barks n.a. n.a. PMID[25051453]
NPO15394 Angelica decursiva Species Apiaceae Eukaryota n.a. root n.a. PMID[25068578]
NPO2392 Hansenia weberbaueriana Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[25333853]
NPO18674 Juglans regia Species Juglandaceae Eukaryota n.a. n.a. n.a. PMID[25466114]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[25538068]
NPO23546 Clausena lansium Species Rutaceae Eukaryota Leaves n.a. n.a. PMID[26523463]
NPO9090 Patrinia villosa Species Caprifoliaceae Eukaryota n.a. leaf n.a. PMID[27019553]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[27400088]
NPO11872 Eleutherococcus senticosus Species Araliaceae Eukaryota leaves n.a. n.a. PMID[27400231]
NPO8797 Cudrania tricuspidata Species Moraceae Eukaryota n.a. n.a. n.a. PMID[27420919]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[27444348]
NPO18674 Juglans regia Species Juglandaceae Eukaryota Flowers n.a. n.a. PMID[28737396]
NPO27785 Atalantia buxifolia Species Rutaceae Eukaryota Twigs n.a. n.a. PMID[29975532]
NPO40718 Indian beech tree Strain n.a. n.a. n.a. n.a. n.a. PMID[30108931]
NPO33671 Selinum monniere Species Apiaceae Eukaryota n.a. n.a. n.a. PMID[3069958]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota Roots n.a. n.a. PMID[31464439]
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota n.a. n.a. n.a. PMID[32141747]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[32935986]
NPO21771 Citrus trifoliata Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[32996318]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota n.a. root n.a. PMID[7700984]
NPO20922 Colutea arborescens Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[9548836]
NPO3509 Angelica furcijuga Species Apiaceae Eukaryota roots Miyazaki prefecture, Japan n.a. PMID[9873511]
NPO18674 Juglans regia Species Juglandaceae Eukaryota n.a. leaf n.a. Database[Article]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota n.a. n.a. n.a. Database[Article]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO18674 Juglans regia Species Juglandaceae Eukaryota Stem Bark n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Pericarp n.a. n.a. Database[FooDB]
NPO42013 Foeniculum vulgare Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO18674 Juglans regia Species Juglandaceae Eukaryota Testa n.a. n.a. Database[FooDB]
NPO25369 Levisticum officinale Species Apiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO42013 Foeniculum vulgare Species Apiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO27288 Citrus maxima Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO19774 Rubus idaeus Species n.a. n.a. n.a. n.a. Database[FooDB]
NPO25369 Levisticum officinale Species Apiaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Bark n.a. n.a. Database[FooDB]
NPO18674 Juglans regia Species Juglandaceae Eukaryota n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO18674 Juglans regia Species Juglandaceae Eukaryota Embryo n.a. n.a. Database[FooDB]
NPO25369 Levisticum officinale Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO25369 Levisticum officinale Species Apiaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Roots n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Root Bark n.a. n.a. Database[FooDB]
NPO18674 Juglans regia Species Juglandaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO19774 Rubus idaeus Species n.a. n.a. Fruits n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Root Essent. Oil n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO25369 Levisticum officinale Species Apiaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO42013 Foeniculum vulgare Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO42013 Foeniculum vulgare Species Apiaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO19774 Rubus idaeus Species n.a. n.a. Fruit n.a. n.a. Database[FooDB]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO18674 Juglans regia Species Juglandaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota Fruit Juice n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO18674 Juglans regia Species Juglandaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO19774 Rubus idaeus Species n.a. n.a. Seed n.a. n.a. Database[FooDB]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota Shoot n.a. n.a. Database[FooDB]
NPO19774 Rubus idaeus Species n.a. n.a. Leaf n.a. n.a. Database[FooDB]
NPO19774 Rubus idaeus Species n.a. n.a. n.a. n.a. n.a. Database[HerDing]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO27120 Seseli yunnanense Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO15394 Angelica decursiva Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO3509 Angelica furcijuga Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO15738 Heracleum mantegazzianum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO16308 Citrus wilsonii Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO8874 Glehnia littoralis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO30125 0topterygium forbesii n.a. n.a. n.a. n.a. n.a. n.a. Database[HerDing]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO16755 Saposhnikovia divaricata Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO11015 Zanthoxylum echinocarpum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO30607 Coprinus atramentarius Species Agaricaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO4340 Peucedanum praeruptorum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO12662 Torilis japonica Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO18674 Juglans regia Species Juglandaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO2715 Murraya paniculata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO340 Orixa japonica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO8471 Angelica taiwaniana Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO7317 Citrus aurantium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO6125 Peucedanum ostruthium Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO23546 Clausena lansium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO28058 Seseli grandivittatum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO27785 Atalantia buxifolia Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO9090 Patrinia villosa Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO24780 Oppopanax chironium n.a. n.a. n.a. n.a. n.a. n.a. Database[HerDing]
NPO25369 Levisticum officinale Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO8240 Opuntia vulgaris Species Cactaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO9078 Piper hancei Species Piperaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO662 Angelica officinalis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO30526 0topterygium incisum n.a. n.a. n.a. n.a. n.a. n.a. Database[HerDing]
NPO15730 Citrus medica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO28975 Thamnosma rhodesica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO16027 Niphogeton ternata Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO13291 Changium smyrnioides Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO17866 Peucedanum rubricaule Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO12746 Pleurospermum rivulorum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO19774 Rubus idaeus Species n.a. n.a. n.a. n.a. Database[Phenol-Explorer]
NPO25369 Levisticum officinale Species Apiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO27288 Citrus maxima Species Rutaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO42013 Foeniculum vulgare Species Apiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO19774 Rubus idaeus Species n.a. n.a. Fruits n.a. Database[Phenol-Explorer]
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO25369 Levisticum officinale Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO12746 Pleurospermum rivulorum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO3509 Angelica furcijuga Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO23546 Clausena lansium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO21771 Citrus trifoliata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO2715 Murraya paniculata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO24780 Oppopanax chironium n.a. n.a. n.a. n.a. n.a. n.a. Database[TCMID]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9078 Piper hancei Species Piperaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO28058 Seseli grandivittatum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO28975 Thamnosma rhodesica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15730 Citrus medica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO662 Angelica officinalis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO27785 Atalantia buxifolia Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO4340 Peucedanum praeruptorum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO27288 Citrus maxima Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO12662 Torilis japonica Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO24644 Hansenia forbesii Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15394 Angelica decursiva Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO27120 Seseli yunnanense Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO16027 Niphogeton ternata Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO16308 Citrus wilsonii Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8797 Cudrania tricuspidata Species Moraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8119 Ambrosia polystachya Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO340 Orixa japonica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO13291 Changium smyrnioides Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO19774 Rubus idaeus Species n.a. n.a. n.a. n.a. n.a. Database[TCMID]
NPO18674 Juglans regia Species Juglandaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO16675 Peucedanum japonicum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO7317 Citrus aurantium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO23631 Ferula foetida Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8240 Opuntia vulgaris Species Cactaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11872 Eleutherococcus senticosus Species Araliaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9090 Patrinia villosa Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO11015 Zanthoxylum echinocarpum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15738 Heracleum mantegazzianum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15022 Baccharis flabellata Species Asteraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8471 Angelica taiwaniana Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO6125 Peucedanum ostruthium Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO2392 Hansenia weberbaueriana Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO8874 Glehnia littoralis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO17866 Peucedanum rubricaule Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO26396 Coprinopsis atramentaria Species Psathyrellaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO10004 Callitropsis nootkatensis Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO16755 Saposhnikovia divaricata Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO6125 Peucedanum ostruthium Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO27785 Atalantia buxifolia Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO7317 Citrus aurantium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO9090 Patrinia villosa Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO18674 Juglans regia Species Juglandaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO30526 0topterygium incisum n.a. n.a. n.a. n.a. n.a. n.a. Database[TCM_Taiwan]
NPO27120 Seseli yunnanense Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO30713 Angelica talwaniana Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO15394 Angelica decursiva Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO17866 Peucedanum rubricaule Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO8874 Glehnia littoralis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO23546 Clausena lansium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO30607 Coprinus atramentarius Species Agaricaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO30125 0topterygium forbesii n.a. n.a. n.a. n.a. n.a. n.a. Database[TCM_Taiwan]
NPO2715 Murraya paniculata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO15730 Citrus medica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO16308 Citrus wilsonii Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO4340 Peucedanum praeruptorum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO340 Orixa japonica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO28058 Seseli grandivittatum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO13877 Wedelia forsteriana Species Asteraceae Eukaryota n.a. n.a. n.a. Database[Title]
NPO5270 Citrus natsudaidai Species Rutaceae Eukaryota n.a. n.a. n.a. Database[Title]
NPO3127 Aralia continentalis Species Araliaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO9090 Patrinia villosa Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO5270 Citrus natsudaidai Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO15730 Citrus medica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO16675 Peucedanum japonicum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO15394 Angelica decursiva Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO24644 Hansenia forbesii Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO21771 Citrus trifoliata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO27288 Citrus maxima Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO900 Cnidium monieri Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO12662 Torilis japonica Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO11872 Eleutherococcus senticosus Species Araliaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO2953 Ostericum grosseserratum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO13291 Changium smyrnioides Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO8874 Glehnia littoralis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO4340 Peucedanum praeruptorum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO18674 Juglans regia Species Juglandaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO2392 Hansenia weberbaueriana Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO2715 Murraya paniculata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO16308 Citrus wilsonii Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO7317 Citrus aurantium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO16755 Saposhnikovia divaricata Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO8564 Cornicularia normoerica Species Parmeliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15022 Baccharis flabellata Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3127 Aralia continentalis Species Araliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16308 Citrus wilsonii Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22280 Anastrophyllum donnianum Species Anastrophyllaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14231 Senecio barba-johannis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28975 Thamnosma rhodesica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10979 Azotobacter chroococcum Species Pseudomonadaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO22063 Solanum lycocarpum Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14871 Cladonia squamosula Species Cladoniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12569 Trixis inula Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11844 Siphula applanata Species Icmadophilaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12186 Oplopanax chironium Species Araliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23631 Ferula foetida Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13877 Wedelia forsteriana Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12722 Ambrosia arborescens Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8797 Cudrania tricuspidata Species Moraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23546 Clausena lansium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19787 Citrus sinensis Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19219 Inga paterno Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16027 Niphogeton ternata Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9078 Piper hancei Species Piperaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10808 Myelois cribrella Species Pyralidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18895 Eucalyptus exserta Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8827 Kniphofia tuckii Species Asphodelaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11708 Cyathus helenae Species Nidulariaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2060 Garcinia parvifolia Species Clusiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2953 Ostericum grosseserratum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3509 Angelica furcijuga Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6521 Quercus sessilis Species Fagaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6547 Podocarpus henckelii Species Podocarpaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16296 Macrococculus pomiferus Species Menispermaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21771 Citrus trifoliata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7876 Axinella polycapella Species Axinellidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19744 Arnica foliosa Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22273 Angelica pubescens Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16778 Leptospermum liversidgei Species Myrtaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19653 Isis hippuris Species Isididae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12850 Leiothrix flavescens Species Eriocaulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2406 Thermus thermophilus Species Thermaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO23548 Leonurus heterophyllus Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18214 Spilanthes ocymifolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9366 Rosa transmorrisonensis Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11154 Hygrophila spinosa Species n.a. Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15484 Adlumia fungosa Species Papaveraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO340 Orixa japonica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15730 Citrus medica Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8874 Glehnia littoralis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18674 Juglans regia Species Juglandaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13159 Sauropus quadrangularis Species Phyllanthaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12662 Torilis japonica Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8471 Angelica taiwaniana Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6138 Ajania fastigiata Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9382 Esperiopsis edwardii Species Esperiopsidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9329 Acanthus montanus Species Acanthaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23746 Tephrosia villosa Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4340 Peucedanum praeruptorum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO427 Osteospermum ecklonis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11147 Spongia hispida Species Spongiidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10004 Callitropsis nootkatensis Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18926 Tephrosia lupinifolia Species Geometridae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9090 Patrinia villosa Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5270 Citrus natsudaidai Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20477 Grindelia integrifolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO6125 Peucedanum ostruthium Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5820 Phegopteris subaurita Species Thelypteridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18316 Vernonia echitifolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO662 Angelica officinalis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23345 Azospirillum lipoferum Species Rhodospirillaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO15462 Angelica sinensis Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2629 Cystoseira caespitosa Species Sargassaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10614 Pinus krempfii Species Pinaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22218 Tilletia levis Species Tilletiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20922 Colutea arborescens Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15738 Heracleum mantegazzianum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8119 Ambrosia polystachya Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19012 Gasteria bicolor Species Asphodelaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23207 Solanum pseudocapsicum Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13639 Smilax macrophylla Species Staphylinidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12758 Thalassia testudinum Species Hydrocharitaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24248.1 Lactarius deliciosus var. deterrimus Varieties Russulaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24519 Piper ovatum Species Piperaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13583 Daphne cannabina Species Thymelaeaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO27785 Atalantia buxifolia Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7487 Antidesma membranaceum Species Phyllanthaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24644 Hansenia forbesii Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12210 Hypoxylon sclerophaeum Species Xylariaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11846 Ulosa spongia Species Dictyonellidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23253 Silene wallichiana Species Caryophyllaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11872 Eleutherococcus senticosus Species Araliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15394 Angelica decursiva Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9518 Gardenia jasminoides Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25369 Levisticum officinale Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2852 Cirsium canum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16614 Zanthoxylum spinosum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO27288 Citrus maxima Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16675 Peucedanum japonicum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19815 Earias insulana Species 0lidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO23824 Pinus albicaulis Species Pinaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13642 Pastinaca sativa Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5954 Petroselinum crispum Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8240 Opuntia vulgaris Species Cactaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19774 Rubus idaeus Species n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO24758 Angelica dahurica Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9980 Salvia lasiantha Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2815 Schenkia spicata Species Gentianaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7317 Citrus aurantium Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1117 Hypholoma capnoides Species Strophariaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15544 Cnidium monnieri Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11015 Zanthoxylum echinocarpum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9564 Annona haematantha Species Annonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2715 Murraya paniculata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26396 Coprinopsis atramentaria Species Psathyrellaceae Eukaryota n.a. n.a. n.a. Database[UNPD]

☑ Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

  NP Quantity Composition/Concentration

Organism ID NP ID Organism Material Preparation Organism Part NP Quantity (Standard) NP Quantity (Minimum) NP Quantity (Maximum) Quantity Unit Reference
NPO25369 NPC243509 Other Fruit 1.3 1.3 1.3 mg/100g Database [DUKE]
NPO5954 NPC243509 Raw Fruit 0.35 0.1 0.6 mg/100g Database [DUKE]
NPO5954 NPC243509 Raw Leaf 0.053 0.053 0.053 mg/100g Database [DUKE]
NPO13642 NPC243509 Raw Root 170 170 170 mg/100g Database [DUKE]
NPO42013 NPC243509 Other (raw) Seed 0.15 0 0.3 mg/100g Database [DUKE]

☑ Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1785 Individual Protein Serotonin 7 (5-HT7) receptor Homo sapiens Inhibition = 57.0 % PMID[505379]
NPT55 Individual Protein Putative fructose-1,6-bisphosphate aldolase Giardia intestinalis Potency = 17740.7 nM PMID[505384]
NPT55 Individual Protein Putative fructose-1,6-bisphosphate aldolase Giardia intestinalis Potency = 15811.4 nM PMID[505383]
NPT60 Individual Protein Lysosomal alpha-glucosidase Homo sapiens Potency = 28183.8 nM PMID[505383]
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 5011.9 nM PMID[505384]
NPT532 Individual Protein Lysine-specific demethylase 4A Homo sapiens Potency n.a. 17782.8 nM PMID[505383]
NPT1098 Individual Protein Eyes absent homolog 2 Homo sapiens Potency n.a. 100000.0 nM PMID[505382]
NPT62 Individual Protein 6-phospho-1-fructokinase Trypanosoma brucei Potency n.a. 756.9 nM PMID[505382]
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency n.a. 33587.5 nM PMID[505382]
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency n.a. 100000.0 nM PMID[505382]
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency n.a. 89125.1 nM PMID[505383]
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency n.a. 56234.1 nM PMID[505384]
NPT1211 Individual Protein Dual specificity protein phosphatase 3 Homo sapiens IC50 > 100000.0 nM PMID[505386]
NPT2570 Individual Protein Protein-tyrosine phosphatase LC-PTP Homo sapiens IC50 > 100000.0 nM PMID[505386]
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency n.a. 2238.7 nM PMID[505383]
NPT160 Individual Protein TAR DNA-binding protein 43 Homo sapiens Potency n.a. 3981.1 nM PMID[505383]
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency n.a. 28.2 nM PMID[505383]
NPT2794 Individual Protein Quinolone resistance protein norA Staphylococcus aureus MIC = 4.0 ug.mL-1 PMID[505393]
NPT2794 Individual Protein Quinolone resistance protein norA Staphylococcus aureus FC = 2.0 n.a. PMID[505393]
NPT2795 Individual Protein Fluoroquinolone resistance protein Staphylococcus aureus MIC = 128.0 ug.mL-1 PMID[505393]
NPT2795 Individual Protein Fluoroquinolone resistance protein Staphylococcus aureus FC = 2.0 n.a. PMID[505393]
NPT1604 Individual Protein Cytochrome P450 1B1 Homo sapiens Ki = 1000.0 nM PMID[505397]
NPT2740 Cell Line Neutrophils IC50 > 10000.0 nM PMID[505398]
NPT2740 Cell Line Neutrophils IC50 = 200.0 nM PMID[505398]
NPT81 Cell Line A549 Homo sapiens IC50 > 20.0 ug.mL-1 PMID[505398]
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 > 20.0 ug.mL-1 PMID[505398]
NPT65 Cell Line HepG2 Homo sapiens IC50 > 20.0 ug.mL-1 PMID[505398]
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 69.2 % PMID[505399]
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 66.7 % PMID[505399]
NPT2740 Cell Line Neutrophils IC50 = 1700.0 nM PMID[505399]
NPT1603 Individual Protein Cytochrome P450 1A1 Homo sapiens Inhibition = 71.0 % PMID[505401]
NPT65 Cell Line HepG2 Homo sapiens Activity = 71.5 % PMID[505403]
NPT65 Cell Line HepG2 Homo sapiens Activity = 77.1 % PMID[505403]
NPT6622 Individual Protein Signal transducer and activator of transcription 3 Mus musculus FC = 1.2 n.a. PMID[505404]
NPT6622 Individual Protein Signal transducer and activator of transcription 3 Mus musculus FC = 1.3 n.a. PMID[505404]
NPT6622 Individual Protein Signal transducer and activator of transcription 3 Mus musculus FC = 1.8 n.a. PMID[505404]
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 81.0 % PMID[505375]
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 0.0 % PMID[505375]
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 56.0 % PMID[505375]
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 35.0 % PMID[505375]
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 90.0 % PMID[505375]
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 87.0 % PMID[505375]
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 86.0 % PMID[505375]
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 58.0 % PMID[505375]
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 43.0 % PMID[505375]
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium Inhibition = 22.0 % PMID[505375]
NPT963 Organism Hepatitis B virus Hepatitis B virus Inhibition = 68.4 % PMID[505376]
NPT963 Organism Hepatitis B virus Hepatitis B virus Inhibition = 55.3 % PMID[505376]
NPT963 Organism Hepatitis B virus Hepatitis B virus Inhibition = 14.9 % PMID[505376]
NPT963 Organism Hepatitis B virus Hepatitis B virus Inhibition = 34.3 % PMID[505376]
NPT963 Organism Hepatitis B virus Hepatitis B virus Inhibition = 22.5 % PMID[505376]
NPT963 Organism Hepatitis B virus Hepatitis B virus Inhibition = 3.8 % PMID[505376]
NPT27 Others Unspecified Inhibition = -8.7 % PMID[505376]
NPT27 Others Unspecified Inhibition = 8.9 % PMID[505376]
NPT27 Others Unspecified Inhibition = 11.0 % PMID[505376]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. ED50 = 33.0 ug ml-1 PMID[505377]
NPT740 Individual Protein Beta-secretase 1 Homo sapiens IC50 = 30500.0 nM PMID[505381]
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae Potency = 16360.1 nM PMID[505382]
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 28183.8 nM PMID[505383]
NPT2 Others Unspecified Potency = 183.6 nM PMID[505383]
NPT2 Others Unspecified Potency n.a. 2501.8 nM PMID[505383]
NPT698 Individual Protein Regulator of G-protein signaling 4 Homo sapiens Potency n.a. 79432.8 nM PMID[505383]
NPT2 Others Unspecified IC50 > 100000.0 nM PMID[505386]
NPT740 Individual Protein Beta-secretase 1 Homo sapiens IC50 = 91800.0 nM PMID[505387]
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency n.a. 15848.9 nM PMID[505383]
NPT2 Others Unspecified Potency n.a. 22387.2 nM PMID[505383]
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 222.82 % PMID[505390]
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 131.42 % PMID[505390]
NPT2 Others Unspecified AC50 > 39000.0 nM PMID[505383]
NPT831 Individual Protein Serine/threonine-protein kinase PLK1 Homo sapiens Potency n.a. 26679.5 nM PMID[505383]
NPT2 Others Unspecified Potency n.a. 22387.2 nM PMID[505382]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. IC50 = 3500.0 nM PMID[505391]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. IC50 > 10000.0 nM PMID[505391]
NPT2 Others Unspecified Ac50 n.a. 39.81 uM PMID[505392]
NPT2 Others Unspecified AC50 n.a. 39810.7 nM PMID[505392]
NPT2 Others Unspecified Ac50 n.a. 25.12 uM PMID[505392]
NPT2 Others Unspecified AC50 n.a. 25118.9 nM PMID[505392]
NPT2 Others Unspecified MIC = 32.0 ug.mL-1 PMID[505393]
NPT2 Others Unspecified FC = 0.0 n.a. PMID[505393]
NPT2 Others Unspecified MIC = 64.0 ug.mL-1 PMID[505393]
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens IC50 = 28000.0 nM PMID[505393]
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Activity = 101.8 % PMID[505394]
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Activity = 99.0 % PMID[505394]
NPT610 Others Molecular identity unknown EC50 = 11220.18 nM PMID[505395]
NPT610 Others Molecular identity unknown Emax = 85.6 % PMID[505395]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. EC50 > 50000.0 nM PMID[505396]
NPT20529 NON-MOLECULAR NON-PROTEIN TARGET n.a. EC50 = 8400.0 nM PMID[505396]
NPT32 Organism Mus musculus Mus musculus Inhibition = 54.4 % PMID[505399]
NPT1007 Protein Complex GABA-A receptor; alpha-1/beta-2/gamma-2 Homo sapiens Activity > 20.0 % PMID[505402]
NPT26581 PROTEIN COMPLEX I-kappa-B kinase Mus musculus FC = 1.0 n.a. PMID[505404]
NPT26581 PROTEIN COMPLEX I-kappa-B kinase Mus musculus FC = 1.2 n.a. PMID[505404]
NPT26582 SINGLE PROTEIN Tyrosine-protein kinase JAK1 Mus musculus FC = 1.2 n.a. PMID[505404]
NPT26582 SINGLE PROTEIN Tyrosine-protein kinase JAK1 Mus musculus FC = 1.3 n.a. PMID[505404]
NPT26582 SINGLE PROTEIN Tyrosine-protein kinase JAK1 Mus musculus FC = 2.2 n.a. PMID[505404]
NPT2 Others Unspecified FC = 0.7 n.a. PMID[505404]
NPT2 Others Unspecified FC = 0.9 n.a. PMID[505404]
NPT2 Others Unspecified FC = 1.8 n.a. PMID[505404]
NPT2 Others Unspecified FC = 2.2 n.a. PMID[505404]
NPT2 Others Unspecified FC = 1.5 n.a. PMID[505404]
NPT2 Others Unspecified FC = 2.5 n.a. PMID[505404]
NPT2 Others Unspecified Potency n.a. 3757.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 33491.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 26603.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 13333.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency n.a. 477.2 nM PubChem BioAssay data set

☑ Note for Activity Records:
☉ The quantitative biological activities were primarily integrated from ChEMBL (Version-30) database and were also directly collected from PubMed literature. PubMed PMID was provided as the reference link for each activity record.

  Chemically structural similarity: I. Similar Active Natural Products in NPASS

Top-200 similar NPs were calculated against the active-NP-set (includes 4,3285 NPs with experimentally-derived bioactivity available in NPASS)

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC243509 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9934 High Similarity NPC216092
0.9934 High Similarity NPC33320
0.9742 High Similarity NPC179015
0.9742 High Similarity NPC173149
0.9679 High Similarity NPC67450
0.9679 High Similarity NPC210460
0.9679 High Similarity NPC193881
0.9679 High Similarity NPC155264
0.9677 High Similarity NPC179464
0.9613 High Similarity NPC234536
0.9613 High Similarity NPC78612
0.9497 High Similarity NPC51404
0.9408 High Similarity NPC98028
0.9375 High Similarity NPC144288
0.9304 High Similarity NPC15819
0.9299 High Similarity NPC264293
0.9264 High Similarity NPC107244
0.9259 High Similarity NPC233956
0.9202 High Similarity NPC224165
0.9202 High Similarity NPC53917
0.9161 High Similarity NPC131725
0.915 High Similarity NPC88445
0.9136 High Similarity NPC281835
0.9091 High Similarity NPC191104
0.9085 High Similarity NPC266743
0.9024 High Similarity NPC62640
0.9024 High Similarity NPC72455
0.902 High Similarity NPC74539
0.902 High Similarity NPC304443
0.9007 High Similarity NPC51146
0.9007 High Similarity NPC166858
0.8981 High Similarity NPC278010
0.8981 High Similarity NPC250769
0.8981 High Similarity NPC295608
0.8944 High Similarity NPC65846
0.894 High Similarity NPC27220
0.8931 High Similarity NPC250076
0.891 High Similarity NPC474170
0.891 High Similarity NPC474388
0.891 High Similarity NPC472535
0.8896 High Similarity NPC117463
0.8889 High Similarity NPC246903
0.8875 High Similarity NPC169
0.8861 High Similarity NPC471746
0.8846 High Similarity NPC177839
0.8841 High Similarity NPC41853
0.882 High Similarity NPC14822
0.8816 High Similarity NPC254010
0.8808 High Similarity NPC262635
0.8805 High Similarity NPC19860
0.8797 High Similarity NPC186507
0.8797 High Similarity NPC279930
0.8797 High Similarity NPC41719
0.878 High Similarity NPC167479
0.8774 High Similarity NPC299923
0.8766 High Similarity NPC208584
0.8766 High Similarity NPC471590
0.8765 High Similarity NPC302741
0.8758 High Similarity NPC95472
0.8758 High Similarity NPC239270
0.8758 High Similarity NPC303210
0.8758 High Similarity NPC313036
0.8758 High Similarity NPC49009
0.875 High Similarity NPC269495
0.8742 High Similarity NPC122623
0.8742 High Similarity NPC284353
0.8742 High Similarity NPC241774
0.8742 High Similarity NPC34725
0.8742 High Similarity NPC276059
0.8735 High Similarity NPC475964
0.8734 High Similarity NPC38361
0.8734 High Similarity NPC130015
0.8734 High Similarity NPC68882
0.8726 High Similarity NPC5840
0.8726 High Similarity NPC189270
0.872 High Similarity NPC472895
0.8712 High Similarity NPC132054
0.871 High Similarity NPC310259
0.871 High Similarity NPC190572
0.8696 High Similarity NPC113055
0.8688 High Similarity NPC257277
0.8688 High Similarity NPC474983
0.8679 High Similarity NPC475895
0.8667 High Similarity NPC241820
0.8662 High Similarity NPC474648
0.8659 High Similarity NPC187923
0.865 High Similarity NPC193998
0.865 High Similarity NPC272722
0.8642 High Similarity NPC477164
0.8636 High Similarity NPC476054
0.8634 High Similarity NPC270044
0.8634 High Similarity NPC19097
0.8634 High Similarity NPC310206
0.8625 High Similarity NPC233776
0.8623 High Similarity NPC157522
0.8616 High Similarity NPC304954
0.8616 High Similarity NPC40033
0.8608 High Similarity NPC155882
0.8608 High Similarity NPC148423
0.8608 High Similarity NPC135303
0.8606 High Similarity NPC323137
0.8606 High Similarity NPC298071
0.8599 High Similarity NPC183236
0.8599 High Similarity NPC476342
0.8589 High Similarity NPC34376
0.8581 High Similarity NPC113089
0.8581 High Similarity NPC293201
0.858 High Similarity NPC15764
0.8571 High Similarity NPC185607
0.8571 High Similarity NPC155063
0.8563 High Similarity NPC131866
0.8563 High Similarity NPC190351
0.8562 High Similarity NPC136095
0.8562 High Similarity NPC189130
0.8562 High Similarity NPC473664
0.8555 High Similarity NPC73703
0.8553 High Similarity NPC253616
0.8553 High Similarity NPC473732
0.8545 High Similarity NPC279768
0.8545 High Similarity NPC36320
0.8545 High Similarity NPC38914
0.8544 High Similarity NPC69752
0.8537 High Similarity NPC475144
0.8535 High Similarity NPC198427
0.8535 High Similarity NPC470511
0.8528 High Similarity NPC269906
0.8528 High Similarity NPC139876
0.8526 High Similarity NPC136278
0.8521 High Similarity NPC66804
0.8516 High Similarity NPC9966
0.8516 High Similarity NPC70853
0.8506 High Similarity NPC470856
0.85 High Similarity NPC475116
0.85 High Similarity NPC60211
0.8497 Intermediate Similarity NPC36414
0.8491 Intermediate Similarity NPC201547
0.8491 Intermediate Similarity NPC259058
0.8487 Intermediate Similarity NPC268081
0.8485 Intermediate Similarity NPC1706
0.8485 Intermediate Similarity NPC59295
0.8485 Intermediate Similarity NPC1755
0.8485 Intermediate Similarity NPC39305
0.8485 Intermediate Similarity NPC263092
0.8485 Intermediate Similarity NPC472582
0.8481 Intermediate Similarity NPC261548
0.8481 Intermediate Similarity NPC306788
0.848 Intermediate Similarity NPC104682
0.8476 Intermediate Similarity NPC109238
0.8476 Intermediate Similarity NPC309335
0.8476 Intermediate Similarity NPC94155
0.8476 Intermediate Similarity NPC296540
0.8466 Intermediate Similarity NPC104459
0.8466 Intermediate Similarity NPC257914
0.8466 Intermediate Similarity NPC238405
0.8462 Intermediate Similarity NPC17262
0.8462 Intermediate Similarity NPC65885
0.8462 Intermediate Similarity NPC277510
0.8457 Intermediate Similarity NPC248299
0.8457 Intermediate Similarity NPC472461
0.8457 Intermediate Similarity NPC45131
0.8452 Intermediate Similarity NPC29536
0.8452 Intermediate Similarity NPC28326
0.8447 Intermediate Similarity NPC472408
0.8447 Intermediate Similarity NPC128961
0.8443 Intermediate Similarity NPC247973
0.8443 Intermediate Similarity NPC186392
0.8442 Intermediate Similarity NPC472515
0.8438 Intermediate Similarity NPC236769
0.8438 Intermediate Similarity NPC198615
0.8438 Intermediate Similarity NPC472407
0.8438 Intermediate Similarity NPC474663
0.8434 Intermediate Similarity NPC259007
0.8434 Intermediate Similarity NPC45449
0.8434 Intermediate Similarity NPC280893
0.8434 Intermediate Similarity NPC204088
0.8434 Intermediate Similarity NPC329215
0.8434 Intermediate Similarity NPC475369
0.8431 Intermediate Similarity NPC44573
0.8431 Intermediate Similarity NPC103001
0.8428 Intermediate Similarity NPC181250
0.8428 Intermediate Similarity NPC159103
0.8424 Intermediate Similarity NPC18284
0.8424 Intermediate Similarity NPC19948
0.8424 Intermediate Similarity NPC238995
0.8424 Intermediate Similarity NPC471745
0.8424 Intermediate Similarity NPC273021
0.8421 Intermediate Similarity NPC98546
0.8418 Intermediate Similarity NPC205522
0.8418 Intermediate Similarity NPC129650
0.8415 Intermediate Similarity NPC131557
0.8415 Intermediate Similarity NPC471744
0.8415 Intermediate Similarity NPC328102
0.8415 Intermediate Similarity NPC298093
0.8408 Intermediate Similarity NPC171656
0.8408 Intermediate Similarity NPC224687
0.8408 Intermediate Similarity NPC296575
0.8405 Intermediate Similarity NPC108456
0.8405 Intermediate Similarity NPC78071
0.8395 Intermediate Similarity NPC478238
0.8395 Intermediate Similarity NPC3273

  Chemically structural similarity: II. Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC243509 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.9934 High Similarity NPD919 Approved
0.9299 High Similarity NPD1247 Approved
0.902 High Similarity NPD920 Approved
0.9007 High Similarity NPD643 Clinical (unspecified phase)
0.8889 High Similarity NPD642 Clinical (unspecified phase)
0.8808 High Similarity NPD1243 Approved
0.8742 High Similarity NPD3817 Phase 2
0.8571 High Similarity NPD3882 Suspended
0.8485 Intermediate Similarity NPD3926 Phase 2
0.8462 Intermediate Similarity NPD6799 Approved
0.8447 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8415 Intermediate Similarity NPD5494 Approved
0.8385 Intermediate Similarity NPD6801 Discontinued
0.8293 Intermediate Similarity NPD7075 Discontinued
0.8261 Intermediate Similarity NPD6599 Discontinued
0.816 Intermediate Similarity NPD1934 Approved
0.8129 Intermediate Similarity NPD2796 Approved
0.811 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.811 Intermediate Similarity NPD7819 Suspended
0.8075 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.8063 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8035 Intermediate Similarity NPD6559 Discontinued
0.8012 Intermediate Similarity NPD3818 Discontinued
0.8012 Intermediate Similarity NPD1512 Approved
0.8 Intermediate Similarity NPD2801 Approved
0.7965 Intermediate Similarity NPD5844 Phase 1
0.795 Intermediate Similarity NPD5401 Approved
0.7895 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD6166 Phase 2
0.7888 Intermediate Similarity NPD1511 Approved
0.7886 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7882 Intermediate Similarity NPD6232 Discontinued
0.7879 Intermediate Similarity NPD7411 Suspended
0.7857 Intermediate Similarity NPD3749 Approved
0.7853 Intermediate Similarity NPD5403 Approved
0.7849 Intermediate Similarity NPD7473 Discontinued
0.7844 Intermediate Similarity NPD5402 Approved
0.7784 Intermediate Similarity NPD7808 Phase 3
0.7771 Intermediate Similarity NPD6797 Phase 2
0.7727 Intermediate Similarity NPD7251 Discontinued
0.7722 Intermediate Similarity NPD3748 Approved
0.7722 Intermediate Similarity NPD1510 Phase 2
0.7711 Intermediate Similarity NPD4380 Phase 2
0.7692 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7688 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7688 Intermediate Similarity NPD1549 Phase 2
0.7673 Intermediate Similarity NPD1551 Phase 2
0.7657 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7657 Intermediate Similarity NPD7054 Approved
0.7643 Intermediate Similarity NPD447 Suspended
0.7643 Intermediate Similarity NPD1933 Approved
0.763 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7625 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7625 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD2533 Approved
0.7622 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD2534 Approved
0.7622 Intermediate Similarity NPD2532 Approved
0.7614 Intermediate Similarity NPD7472 Approved
0.7614 Intermediate Similarity NPD7074 Phase 3
0.7588 Intermediate Similarity NPD7768 Phase 2
0.7586 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.758 Intermediate Similarity NPD1240 Approved
0.7574 Intermediate Similarity NPD1465 Phase 2
0.7548 Intermediate Similarity NPD6832 Phase 2
0.7544 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7532 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD1471 Phase 3
0.7516 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD3750 Approved
0.7484 Intermediate Similarity NPD1607 Approved
0.7472 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD2935 Discontinued
0.7452 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7427 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD2800 Approved
0.7418 Intermediate Similarity NPD8434 Phase 2
0.7414 Intermediate Similarity NPD7199 Phase 2
0.7407 Intermediate Similarity NPD2344 Approved
0.7401 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7399 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD2799 Discontinued
0.7378 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7349 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD2313 Discontinued
0.7337 Intermediate Similarity NPD3226 Approved
0.733 Intermediate Similarity NPD5242 Approved
0.7314 Intermediate Similarity NPD6959 Discontinued
0.7312 Intermediate Similarity NPD230 Phase 1
0.7303 Intermediate Similarity NPD2163 Approved
0.7288 Intermediate Similarity NPD2403 Approved
0.7288 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD5953 Discontinued
0.7273 Intermediate Similarity NPD4628 Phase 3
0.725 Intermediate Similarity NPD943 Approved
0.7233 Intermediate Similarity NPD1296 Phase 2
0.7229 Intermediate Similarity NPD2309 Approved
0.7229 Intermediate Similarity NPD3887 Approved
0.7225 Intermediate Similarity NPD5353 Approved
0.7202 Intermediate Similarity NPD3146 Approved
0.7202 Intermediate Similarity NPD3688 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD1019 Discontinued
0.7196 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7195 Intermediate Similarity NPD2346 Discontinued
0.7195 Intermediate Similarity NPD2355 Clinical (unspecified phase)
0.7195 Intermediate Similarity NPD2353 Approved
0.7175 Intermediate Similarity NPD6808 Phase 2
0.7173 Intermediate Similarity NPD4107 Approved
0.7167 Intermediate Similarity NPD7286 Phase 2
0.7161 Intermediate Similarity NPD9717 Approved
0.7151 Intermediate Similarity NPD6385 Approved
0.7151 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD6386 Approved
0.7143 Intermediate Similarity NPD4307 Phase 2
0.7135 Intermediate Similarity NPD4482 Phase 3
0.7134 Intermediate Similarity NPD3266 Approved
0.7134 Intermediate Similarity NPD1203 Approved
0.7134 Intermediate Similarity NPD3267 Approved
0.7111 Intermediate Similarity NPD3751 Discontinued
0.711 Intermediate Similarity NPD37 Approved
0.7108 Intermediate Similarity NPD2654 Approved
0.7104 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7099 Intermediate Similarity NPD6355 Discontinued
0.7097 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD4966 Approved
0.7086 Intermediate Similarity NPD4967 Phase 2
0.7086 Intermediate Similarity NPD4965 Approved
0.7081 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD5711 Approved
0.7079 Intermediate Similarity NPD7229 Phase 3
0.7079 Intermediate Similarity NPD5710 Approved
0.7078 Intermediate Similarity NPD17 Approved
0.7074 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD9494 Approved
0.7024 Intermediate Similarity NPD2354 Approved
0.7019 Intermediate Similarity NPD411 Approved
0.7019 Intermediate Similarity NPD6798 Discontinued
0.7011 Intermediate Similarity NPD6280 Approved
0.7011 Intermediate Similarity NPD6279 Approved
0.7006 Intermediate Similarity NPD6234 Discontinued
0.6995 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6987 Remote Similarity NPD422 Phase 1
0.6983 Remote Similarity NPD3787 Discontinued
0.6977 Remote Similarity NPD1653 Approved
0.697 Remote Similarity NPD7033 Discontinued
0.697 Remote Similarity NPD4308 Phase 3
0.697 Remote Similarity NPD651 Clinical (unspecified phase)
0.6968 Remote Similarity NPD4287 Approved
0.6964 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6959 Remote Similarity NPD1940 Clinical (unspecified phase)
0.6959 Remote Similarity NPD5049 Phase 3
0.6954 Remote Similarity NPD5889 Approved
0.6954 Remote Similarity NPD5890 Approved
0.6951 Remote Similarity NPD6651 Approved
0.6943 Remote Similarity NPD1608 Approved
0.6933 Remote Similarity NPD4060 Phase 1
0.6923 Remote Similarity NPD6190 Approved
0.6914 Remote Similarity NPD3268 Approved
0.6901 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6894 Remote Similarity NPD1008 Clinical (unspecified phase)
0.6893 Remote Similarity NPD5019 Clinical (unspecified phase)
0.689 Remote Similarity NPD5123 Clinical (unspecified phase)
0.689 Remote Similarity NPD5124 Phase 1
0.6883 Remote Similarity NPD5536 Phase 2
0.6875 Remote Similarity NPD1006 Clinical (unspecified phase)
0.6875 Remote Similarity NPD2798 Approved
0.6867 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6865 Remote Similarity NPD6764 Approved
0.6865 Remote Similarity NPD6765 Approved
0.6848 Remote Similarity NPD1729 Discontinued
0.6842 Remote Similarity NPD1241 Discontinued
0.6839 Remote Similarity NPD7458 Discontinued
0.6839 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6836 Remote Similarity NPD4288 Approved
0.6833 Remote Similarity NPD8127 Discontinued
0.6829 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6829 Remote Similarity NPD1613 Approved
0.6826 Remote Similarity NPD2438 Suspended
0.6813 Remote Similarity NPD2797 Approved
0.68 Remote Similarity NPD6585 Discontinued
0.679 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6772 Remote Similarity NPD1281 Approved
0.6768 Remote Similarity NPD6233 Phase 2
0.6765 Remote Similarity NPD4110 Phase 3
0.6765 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6763 Remote Similarity NPD6273 Approved
0.6761 Remote Similarity NPD6873 Phase 2
0.6751 Remote Similarity NPD3057 Approved
0.6751 Remote Similarity NPD5005 Approved
0.6751 Remote Similarity NPD5006 Approved
0.675 Remote Similarity NPD3225 Approved
0.6748 Remote Similarity NPD3027 Phase 3
0.6742 Remote Similarity NPD2296 Approved
0.6742 Remote Similarity NPD5616 Clinical (unspecified phase)
0.6739 Remote Similarity NPD7228 Approved
0.6732 Remote Similarity NPD5980 Discovery
0.6731 Remote Similarity NPD9545 Approved
0.673 Remote Similarity NPD3972 Approved

  Bioactivity similarity: Similar Natural Products in NPASS

Bioactivity similarity was calculated based on bioactivity descriptors of compounds. The bioactivity descriptors were calculated by a recently developed AI algorithm Chemical Checker (CC) [Nature Biotechnology, 38:1087–1096, 2020; Nature Communications, 12:3932, 2021], which evaluated bioactivity similarities at five levels:
☉ A: chemistry similarity;
☉ B: biological targets similarity;
☉ C: networks similarity;
☉ D: cell-based bioactivity similarity;
☉ E: similarity based on clinical data.

Those 5 categories of CC bioactivity descriptors were calculated and then subjected to manifold projection using UMAP algorithm, to project all NPs on a 2-Dimensional space. The current NP was highlighted with a small circle in the 2-D map. Below figures: left-to-right, A-to-E.

A: chemistry similarity
B: biological targets similarity
C: networks similarity
D: cell-based bioactivity similarity
E: similarity based on clinical data