Natural Product: NPC254509

Natural Product IDNPC254509
Common Name
?
The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
BDHQMRXFDYJGII-UEBIAWITSA-N
IUPAC Name n.a.
Synonyms 24-Methylenecycloartanol
Synthetic Gene Cluster n.a.
ChEMBL Identifier CHEMBL376350
PubChem CID 94204
Chemical Classification
  • CHEMONTID:0000000 [Organic compounds]
    • [CHEMONTID:0000012] Lipids and lipid-like molecules
      • [CHEMONTID:0000258] Steroids and steroid derivatives
        • [CHEMONTID:0002321] Cycloartanols and derivatives

The Chemical Classification was calculated by Classyfire, a software for chemical taxonomy calculation. Reference: DOI:10.1186/s13321-016-0174-y.

  Chemical Representations

Standard InCHIKey BDHQMRXFDYJGII-UEBIAWITSA-N
Standard InCHI InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1
SMILES CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](CC[C@]54C[C@@]35CC[C@]12C)O

  Calculated Properties

Physi-Chem Properties

Molecular Weight:   440.4 Volume:   508.103
?
Van der Waals volume.
Dense:   0.867 LogP:   5.426
?
The logarithm of the n-octanol/water distribution coefficients.
logD7.4:   4.11
?
The logarithm of the n-octanol/water distribution coefficient at pH=7.4.
LogS:   -5.214
?
The logarithm of aqueous solubility value.
Rotatable Bonds:   5.0 Rigid Bonds:   23.0
TPSA:   20.23
?
Topological Polar Surface Area.
H-Bond Acceptor:   1.0
H-Bond Donor:   1.0 Rings:   5.0
Heavy Atoms:   1.0

MedChem Properties

QED Drug-Likeness Score:   0.425 GASA:   1.0
?
GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:   5.447 Fsp3:   0.935
MCE-18:   133.2
?
MCE-18 stands for medicinal chemistry evolution.MCE-18≥45 is considered a suitable value.
Lipinski Rule-of-5:   Rejected
Pfizer Rule:   Accepted GSK Rule:   Accepted
Golden Triangle Rule:   Rejected BMS Rule:   0
Chelating Alert:   0 PAINS Alert:   0
Colloidal aggregators:   0.929 Fluc inhibitor:   0.0
?
The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:   0.006
?
The blue fluorescence value is the probability of being blue fluorescence, within the range of 0 to 1
Green fluorescence:   0.0
?
The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:   0.708 Promiscuous compounds:   0.066

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:   -5.153 MDCK Permeability:   -4.883
Pgp-inhibitor:   0.291 Pgp-substrate:   0.006
PAMPA:   0.026
?
The experimental data for Peff was logarithmically transformed (logPeff). Molecules with log Peff values below 2.0 were classified as low-permeability (Category 0), while those with log Peff values exceeding 2.5 were classified as high-permeability (Category 1).
Human Intestinal Absorption (HIA):   0.0
20% Bioavailability (F20%):   0.096 30% Bioavailability (F30%):   0.506
50% Bioavailability (F50%):   0.998

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):   0.355 MRP1:   0.145
Plasma Protein Binding (PPB):   95.269% Volume Distribution (VD):   -0.017
Fu: 5.248%
?
The fraction unbound in plasms.
OATP1B1 inhibitor:   1.0
OATP1B3 inhibitor:   1.0 BCRP inhibitor:   0.988
BSEP inhibitor:   0.623

ADMET: Metabolism

CYP1A2-inhibitor:   0.0 CYP1A2-substrate:   0.664
CYP2C19-inhibitor:   0.993 CYP2C19-substrate:   0.95
CYP2C9-inhibitor:   0.0 CYP2C9-substrate:   0.168
CYP2D6-inhibitor:   0.0 CYP2D6-substrate:   0.26
CYP3A4-inhibitor:   1.0 CYP3A4-substrate:   1.0
CYP2B6-substrate:   0.0 CYP2C8-inhibitor:   1.0
HLM stability:   0.966
?
Human liver microsomal (HLM) stability. Category 0: stable+ (HLM > 30 min); Category 1: unstable- (HLM ≤ 30 min). The output value is the probability of human liver microsomal instability, where a value closer to 1 indicates a higher likelihood of instability.

ADMET: Excretion

Clearance (CL):  14.255 Half-life (T1/2):  0.611

ADMET: Toxicity

hERG Blockers:  0.088 hERG Blockers (10um):  0.4
Human Hepatotoxicity (H-HT):  0.398 Drug-induced Liver Injury (DILI):  0.013
AMES Toxicity:  0.226 Rat Oral Acute Toxicity:  0.35
Maximum Recommended Daily Dose:  0.602 Skin Sensitization:  0.791
Carcinogencity:  0.73 Eye Corrosion:  0.015
Eye Irritation:  0.523 Respiratory Toxicity:  0.877
Drug-induced Neurotoxicity:  0.026 Ototoxicity:  0.597
Hematotoxicity:  0.329 Drug-induced Nephrotoxicity:  0.288
Genotoxicity:  0.16 RPMI-8226 Immunitoxicity:  0.055
A549 Cytotoxicity:  0.12 Hek293 Cytotoxicity:  0.157
BCF:   3.36
?
Bioconcentration factors are used for considering secondary poisoning potential and assessing risks to human health via the food chain. The unit is -log10[(mg/L)/(1000*MW)].
IGC50:   5.198
?
48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:   5.888
?
48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].
LC50FM:   6.324
?
96 hour fathead minnow LC50. The unit of LC50FM is -log10[(mg/L)/(1000*MW)].

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota Seeds Anhui province, China DOI[10.1016/j.foodres.2020.109416]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota Seeds Gansu province, China DOI[10.1016/j.foodres.2020.109416]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota Seeds Henan province, China DOI[10.1016/j.foodres.2020.109416]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota Seeds Shandong province, China DOI[10.1016/j.foodres.2020.109416]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota Seeds Shanxi province, China DOI[10.1016/j.foodres.2020.109416]
NPO12173 Zantedeschia aethiopica Species Araceae Eukaryota n.a. n.a. n.a. DOI[10.1016/S0031-9422(98)00092-2]
NPO26629 Caesalpinia pulcherrima Species Fabaceae Eukaryota n.a. stem n.a. DOI[10.1021/np0201523]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota n.a. n.a. n.a. DOI[10.1246/bcsj.30.618]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. root n.a. DOI[10.2174/092986712800229032]
NPO30992 Xanthoceras sorbifolia Species Sapindaceae Eukaryota wood n.a. n.a. PMID[10691716]
NPO17048 Jungermannia subulata Species Jungermanniaceae Eukaryota n.a. n.a. n.a. PMID[11999396]
NPO26629 Caesalpinia pulcherrima Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[12193012]
NPO17823 Lycium chinense Species Solanaceae Eukaryota fruits n.a. n.a. PMID[12467621]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota n.a. root n.a. PMID[14727919]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota n.a. leaf n.a. PMID[14727919]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota n.a. bark n.a. PMID[14727919]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota n.a. xylem n.a. PMID[14727919]
NPO1048 Ajuga reptans Species Lamiaceae Eukaryota n.a. n.a. n.a. PMID[15043410]
NPO16657 Diospyros maritima Species Ebenaceae Eukaryota bark Indonesia n.a. PMID[15270571]
NPO21076 Nephthea armata Species Nephtheidae Eukaryota n.a. Taiwan n.a. PMID[15387641]
NPO18932 Melia azedarach Species Meliaceae Eukaryota n.a. Brazilian n.a. PMID[15387656]
NPO18932 Melia azedarach Species Meliaceae Eukaryota n.a. ripe fruit n.a. PMID[16205005]
NPO17823 Lycium chinense Species Solanaceae Eukaryota n.a. root n.a. PMID[16212233]
NPO29530 Kaempferia marginata Species Zingiberaceae Eukaryota n.a. n.a. n.a. PMID[16309313]
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota n.a. fruit n.a. PMID[16417304]
NPO16205 Euphorbia fischeriana Species Euphorbiaceae Eukaryota roots n.a. n.a. PMID[16792421]
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota n.a. branch n.a. PMID[17202693]
NPO27743 Aaptos aaptos Species Suberitidae Eukaryota n.a. n.a. n.a. PMID[17716892]
NPO22180 Dracaena mannii Species Asparagaceae Eukaryota n.a. stem n.a. PMID[18481024]
NPO30992 Xanthoceras sorbifolia Species Sapindaceae Eukaryota husks Inner Mongolia, China 2004-SEP PMID[18549275]
NPO28864 Nauclea officinalis Species Rubiaceae Eukaryota n.a. n.a. n.a. PMID[19299148]
NPO26661 Heimia salicifolia Species Lythraceae Eukaryota n.a. n.a. n.a. PMID[19299148]
NPO29381 Trichilia rubescens Species Meliaceae Eukaryota leaves Kibale National Park, Uganda 2000-2001 PMID[19299148]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. n.a. n.a. PMID[19402674]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. root n.a. PMID[19721258]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. root n.a. PMID[19772486]
NPO22180 Dracaena mannii Species Asparagaceae Eukaryota stems Yaound, village of Bangoua, near Bangangt 2007-APR PMID[20553003]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota Roots n.a. n.a. PMID[20806783]
NPO16205 Euphorbia fischeriana Species Euphorbiaceae Eukaryota n.a. whole plant n.a. PMID[21534540]
NPO16205 Euphorbia fischeriana Species Euphorbiaceae Eukaryota whole plants Panshi, Jilin Province, China 2009-JUN PMID[21534540]
NPO3099 Euphorbia esula Species Euphorbiaceae Eukaryota n.a. n.a. n.a. PMID[21612217]
NPO3099 Euphorbia esula Species Euphorbiaceae Eukaryota n.a. whole plant n.a. PMID[21612217]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. root n.a. PMID[21782011]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. root n.a. PMID[22190295]
NPO16657 Diospyros maritima Species Ebenaceae Eukaryota n.a. n.a. n.a. PMID[22313254]
NPO13645 Armoracia rusticana Species Brassicaceae Eukaryota n.a. n.a. n.a. PMID[22779710]
NPO13645 Armoracia rusticana Species Brassicaceae Eukaryota n.a. root n.a. PMID[22779710]
NPO30992 Xanthoceras sorbifolia Species Sapindaceae Eukaryota n.a. n.a. n.a. PMID[22801644]
NPO17823 Lycium chinense Species Solanaceae Eukaryota root bark n.a. n.a. PMID[23282106]
NPO30992 Xanthoceras sorbifolia Species Sapindaceae Eukaryota leaves n.a. n.a. PMID[23313635]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. seed n.a. PMID[23497864]
NPO299 Euphorbia ebracteolata Species Euphorbiaceae Eukaryota roots n.a. n.a. PMID[24660966]
NPO26308 Lithocarpus polystachyus Species Fagaceae Eukaryota Cupules n.a. n.a. PMID[25098388]
NPO27743 Aaptos aaptos Species Suberitidae Eukaryota n.a. South China Sea n.a. PMID[25211032]
NPO16205 Euphorbia fischeriana Species Euphorbiaceae Eukaryota n.a. n.a. n.a. PMID[25453801]
NPO12173 Zantedeschia aethiopica Species Araceae Eukaryota n.a. n.a. n.a. PMID[25924520]
NPO16205 Euphorbia fischeriana Species Euphorbiaceae Eukaryota n.a. n.a. n.a. PMID[26702644]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. root n.a. PMID[26838074]
NPO17823 Lycium chinense Species Solanaceae Eukaryota Root Bark n.a. n.a. PMID[26982999]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. root n.a. PMID[27313650]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. root n.a. PMID[27429639]
NPO3099 Euphorbia esula Species Euphorbiaceae Eukaryota n.a. n.a. n.a. PMID[27447736]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota n.a. n.a. n.a. PMID[27466882]
NPO16205 Euphorbia fischeriana Species Euphorbiaceae Eukaryota Roots n.a. n.a. PMID[28383891]
NPO299 Euphorbia ebracteolata Species Euphorbiaceae Eukaryota Roots n.a. n.a. PMID[29148766]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota Roots n.a. n.a. PMID[29741372]
NPO4055 Aspergillus unguis Species Aspergillaceae Eukaryota n.a. n.a. n.a. PMID[31117521]
NPO299 Euphorbia ebracteolata Species Euphorbiaceae Eukaryota n.a. n.a. n.a. PMID[31184480]
NPO9585 Oenothera biennis Species Onagraceae Eukaryota Seeds Yichun, Heilongjiang Province, China 2018-Sep PMID[31292343]
NPO13645 Armoracia rusticana Species Brassicaceae Eukaryota Roots n.a. n.a. PMID[31625742]
NPO29530 Kaempferia marginata Species Zingiberaceae Eukaryota Rhizomes n.a. n.a. PMID[31873014]
NPO3099 Euphorbia esula Species Euphorbiaceae Eukaryota n.a. n.a. n.a. PMID[32233482]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota Seeds HeZe, ShanDong, China early autumn (from August to the beginning of September PMID[32545196]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota Roots n.a. n.a. PMID[32951423]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota Seeds Xinjiang,China PMID[33063333]
NPO18932 Melia azedarach Species Meliaceae Eukaryota Fruits n.a. n.a. PMID[33253570]
NPO18932 Melia azedarach Species Meliaceae Eukaryota n.a. n.a. n.a. PMID[36362399]
NPO18932 Melia azedarach Species Meliaceae Eukaryota Seeds n.a. n.a. PMID[3701342]
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota n.a. n.a. n.a. PMID[37570937]
NPO26629 Caesalpinia pulcherrima Species Fabaceae Eukaryota n.a. n.a. n.a. PMID[3783154]
NPO5386 Citrus paradisi Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[38139796]
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota n.a. n.a. n.a. PMID[38358042]
NPO5386 Citrus paradisi Species Rutaceae Eukaryota n.a. n.a. n.a. PMID[39147955]
NPO10650 Serenoa repens Species Arecaceae Eukaryota n.a. n.a. n.a. PMID[39418714]
NPO13272 Ulva lactuca Species Ulvaceae Eukaryota n.a. n.a. n.a. PMID[39769283]
NPO17823 Lycium chinense Species Solanaceae Eukaryota fruits n.a. n.a. PMID[9090870]
NPO10650 Serenoa repens Species Arecaceae Eukaryota Berries n.a. n.a. PMID[9134750]
NPO28292 Streptomyces microflavus Species Streptomycetaceae Bacteria n.a. n.a. n.a. PMID[9918397]
NPO27743 Aaptos aaptos Species Suberitidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29363 Aconitum nevadense Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28784 Alseodaphne corneri Species Lauraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO27269 Annona impressivenia Species Annonaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13645 Armoracia rusticana Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO4055 Aspergillus unguis Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29510 Aulacocephalus temmincki Species Serranidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28971 Bersama yangambiensis Species Melianthaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29189 Castanopsis sclerophylla Species Fagaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO5386 Citrus paradisi Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29400 Conocephalum japonicum Species Conocephalaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO26192 Cordylanthus kingii Species Orobanchaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO25981 Crinipellis scabella Species Marasmiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28949 Croton cumingii Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29127 Cystophora scalaris Species Sargassaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29047 Disynaphia halimifolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO4244 Doodia picta Species Blechnaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO3808 Elaeagnus angustifolia Species Elaeagnaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28845 Eragrostis viscosa Species Poaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO1245 Eunicella cavolinii Species Gorgoniidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28824 Forsteronia refracta Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO3340 Fridericia chica Species Bignoniaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28898 Grewia mollis Species Malvaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29203 Gymnocarpium robertianum Species Cystopteridaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29154 Heliotropium floridum Species Heliotropiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28937 Heterotheca grandiflora Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29415 Hovenia acerba Species Rhamnaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29530 Kaempferia marginata Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29142 Kaunia saltensis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17823 Lycium chinense Species Solanaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13818 Narcissus concolor Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28864 Nauclea officinalis Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29225 Oncoba echinata Species Salicaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28918 Ophiolepis superba Species Ophiolepididae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29068 Papilio phorcas Species Papilionidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29344 Parabenzoin trilobum n.a. n.a. n.a. n.a. n.a. n.a. Database[COCONUT]
NPO3744 Polycephalomyces nipponicus Species Ophiocordycipitaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO9157 Rubrivivax gelatinosus Species n.a. Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO29004 Ruta pinnata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29242 Salvia dorrii Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29488 Sophora angustifolia Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29446 Stevia polycephala Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29450 Streptomyces parvisporogenes Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO29292 Teucrium depressum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28805 Thymus piperella Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29381 Trichilia rubescens Species Meliaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15416 Petasites fragrans Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18932 Melia azedarach Species Meliaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO13272 Ulva lactuca Species Ulvaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO299 Euphorbia ebracteolata Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16205 Euphorbia fischeriana Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO10650 Serenoa repens Species Arecaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19432 Millettia pinnata Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16657 Diospyros maritima Species Ebenaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17458 Sparganium stoloniferum Species Typhaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO28292 Streptomyces microflavus Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO2066 Streptomyces ipomoeae Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO29112 Streptomyces luteosporeus Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO9585 Oenothera biennis Species Onagraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18932.1 Melia azedarach var. toosendan Varieties Meliaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO1048 Ajuga reptans Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14477 Comamonas testosteroni Species Comamonadaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO24071 Girgensohnia diptera Species Chenopodiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO8432 Haminoea orbignyana Species Haminoeidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO3867 Smallanthus glabratus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17771 Senna didymobotrya Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO201 Gmelina arborea Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO26629 Caesalpinia pulcherrima Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17813 Pittosporum undulatum Species Pittosporaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17168 Ageratina riparia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18366 Papaver commutatum Species Papaveraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO3099 Euphorbia esula Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO16027 Niphogeton ternata Species Apiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO12173 Zantedeschia aethiopica Species Araceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO14460 Berberis aquifolium Species Berberidaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO4791 Murrayella periclados Species Rhodomelaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO26190 Aspergillus wentii Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO15580 Justicia simplex Species Acanthaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO426 Camellia reticulata Species Theaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22923 Parthenium bipinnatifidum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO839 Sorocea ilicifolia Species Moraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7740 Clitocybula oculus Species Tricholomataceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO26661 Heimia salicifolia Species Lythraceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17488 Rhoiptelea chiliantha Species Juglandaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21076 Nephthea armata Species Nephtheidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO21819 Domohinea perrieri Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22064 Mannia fragrans Species Aytoniaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO30992 Xanthoceras sorbifolia Species Sapindaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO26308 Lithocarpus polystachyus Species Fagaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO20649 Rhizopogon pumilionus Species Rhizopogonaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO19330 Cephalaria procera Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO26839 Microlepia speluncae Species Dennstaedtiaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO17048 Jungermannia subulata Species Jungermanniaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18903 Chromodoris willani Species Chromodorididae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO8024 Diplopteraster multipes Species Pterasteridae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO22525 Lobophytum denticulatum Species Alcyoniidae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18434 Dactylosporangium aurantiacum Species Micromonosporaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO17264 Mycena haematopus Species Tricholomataceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO18566 Gymnocladus dioicus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO7166 Streptomyces aureus Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[COCONUT]
NPO2935 Zanthoxylum parviflorum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[COCONUT]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota n.a. n.a. Database[FooDB]
NPO13645 Armoracia rusticana Species Brassicaceae Eukaryota n.a. n.a. Database[FooDB]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO5386 Citrus paradisi Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota Bark n.a. n.a. Database[FooDB]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota Essential Oil n.a. n.a. Database[FooDB]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota Flower n.a. n.a. Database[FooDB]
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota Fruit n.a. n.a. Database[FooDB]
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO9585 Oenothera biennis Species Onagraceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota Leaf n.a. n.a. Database[FooDB]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota Pericarp n.a. n.a. Database[FooDB]
NPO13645 Armoracia rusticana Species Brassicaceae Eukaryota Plant n.a. n.a. Database[FooDB]
NPO13645 Armoracia rusticana Species Brassicaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota Root n.a. n.a. Database[FooDB]
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO9585 Oenothera biennis Species Onagraceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota Seed n.a. n.a. Database[FooDB]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota Shoot n.a. n.a. Database[FooDB]
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota n.a. n.a. Database[FooDB]
NPO13645 Armoracia rusticana Species Brassicaceae Eukaryota n.a. n.a. Database[FooDB]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota n.a. n.a. Database[FooDB]
NPO5386 Citrus paradisi Species Rutaceae Eukaryota n.a. n.a. Database[FooDB]
NPO13272 Ulva lactuca Species Ulvaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO17823 Lycium chinense Species Solanaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO5951 Crotalaria ferruginea Species Fabaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO14246 Helleborus thibetanus Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO18932 Melia azedarach Species Meliaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO29004 Ruta pinnata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO17458 Sparganium stoloniferum Species Typhaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO3808 Elaeagnus angustifolia Species Elaeagnaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO3099 Euphorbia esula Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO16657 Diospyros maritima Species Ebenaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO1048 Ajuga reptans Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO28864 Nauclea officinalis Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO26308 Lithocarpus polystachyus Species Fagaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO28949 Croton cumingii Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO16027 Niphogeton ternata Species Apiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO201 Gmelina arborea Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO18366 Papaver commutatum Species Papaveraceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO16205 Euphorbia fischeriana Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO26629 Caesalpinia pulcherrima Species Fabaceae Eukaryota n.a. n.a. n.a. Database[HerDing]
NPO13645 Armoracia rusticana Species Brassicaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota Fruits n.a. Database[Phenol-Explorer]
NPO5386 Citrus paradisi Species Rutaceae Eukaryota Fruits n.a. Database[Phenol-Explorer]
NPO5386 Citrus paradisi Species Rutaceae Eukaryota n.a. n.a. Database[Phenol-Explorer]
NPO17823 Lycium chinense Species Solanaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO18366 Papaver commutatum Species Papaveraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO3808 Elaeagnus angustifolia Species Elaeagnaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO18932 Melia azedarach Species Meliaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29004 Ruta pinnata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO17458 Sparganium stoloniferum Species Typhaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29344 Parabenzoin trilobum n.a. n.a. n.a. n.a. n.a. n.a. Database[TCMID]
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO201 Gmelina arborea Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO18932.1 Melia azedarach var. toosendan Varieties Meliaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO19432 Millettia pinnata Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO13272 Ulva lactuca Species Ulvaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO13645 Armoracia rusticana Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO299 Euphorbia ebracteolata Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO14460 Berberis aquifolium Species Berberidaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO5386 Citrus paradisi Species Rutaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO26308 Lithocarpus polystachyus Species Fagaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO28864 Nauclea officinalis Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO26629 Caesalpinia pulcherrima Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO9655 Radix adenophorae Species Lymnaeidae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO16205 Euphorbia fischeriana Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO3099 Euphorbia esula Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO16027 Niphogeton ternata Species Apiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO839 Sorocea ilicifolia Species Moraceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO26172 Dryopteris sacrosancta Species Dryopteridaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO14246 Helleborus thibetanus Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO5951 Crotalaria ferruginea Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO16657 Diospyros maritima Species Ebenaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29530 Kaempferia marginata Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO15580 Justicia simplex Species Acanthaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO4055 Aspergillus unguis Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO28805 Thymus piperella Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO1048 Ajuga reptans Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO28949 Croton cumingii Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[TCMID]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO17823 Lycium chinense Species Solanaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO13272 Ulva lactuca Species Ulvaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO18932 Melia azedarach Species Meliaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO17458 Sparganium stoloniferum Species Typhaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO299 Euphorbia ebracteolata Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO5951 Crotalaria ferruginea Species Fabaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO18366 Papaver commutatum Species Papaveraceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO16657 Diospyros maritima Species Ebenaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO1048 Ajuga reptans Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO28864 Nauclea officinalis Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO3808 Elaeagnus angustifolia Species Elaeagnaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO26308 Lithocarpus polystachyus Species Fagaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO3099.2 Euphorbia esula l. var. cyparissoides boiss. Varieties Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO201 Gmelina arborea Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO15580 Justicia simplex Species Acanthaceae Eukaryota n.a. n.a. n.a. Database[TCM_Taiwan]
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO16205 Euphorbia fischeriana Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO299 Euphorbia ebracteolata Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO18932.1 Melia azedarach var. toosendan Varieties Meliaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO18932 Melia azedarach Species Meliaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO17823 Lycium chinense Species Solanaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO17458 Sparganium stoloniferum Species Typhaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. n.a. n.a. Database[TM-MC]
NPO29242 Salvia dorrii Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11012 Knema attenuata Species Myristicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29225 Oncoba echinata Species Salicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28949 Croton cumingii Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29363 Aconitum nevadense Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26433 Conus marmoreus Species Conidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26192 Cordylanthus kingii Species Orobanchaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29530 Kaempferia marginata Species Zingiberaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3867 Smallanthus glabratus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28864 Nauclea officinalis Species Rubiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO27269 Annona impressivenia Species Annonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29415 Hovenia acerba Species Rhamnaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5386 Citrus paradisi Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO27743 Aaptos aaptos Species Suberitidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29203 Gymnocarpium robertianum Species Cystopteridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29314 Mangifera indica Species Anacardiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29450 Streptomyces parvisporogenes Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO25519 Kleinia tomentosa Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3340 Fridericia chica Species Bignoniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1245 Eunicella cavolinii Species Gorgoniidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29127 Cystophora scalaris Species Sargassaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29381 Trichilia rubescens Species Meliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28898 Grewia mollis Species Malvaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29400 Conocephalum japonicum Species Conocephalaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29446 Stevia polycephala Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28918 Ophiolepis superba Species Ophiolepididae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29047 Disynaphia halimifolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8024 Diplopteraster multipes Species Pterasteridae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29276 Juglans nigra Species Juglandaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28971 Bersama yangambiensis Species Melianthaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4055 Aspergillus unguis Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13818 Narcissus concolor Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20571 Limnodynastes interioris Species Myobatrachidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28784 Alseodaphne corneri Species Lauraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4244 Doodia picta Species Blechnaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29142 Kaunia saltensis Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28805 Thymus piperella Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22180 Dracaena mannii Species Asparagaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18434 Dactylosporangium aurantiacum Species Micromonosporaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO28937 Heterotheca grandiflora Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19432 Millettia pinnata Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28845 Eragrostis viscosa Species Poaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16942 Asparagus thunbergianus Species Asparagaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13272 Ulva lactuca Species Ulvaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11999 Piptadenia peregrina Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28824 Forsteronia refracta Species Apocynaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29004 Ruta pinnata Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16027 Niphogeton ternata Species Apiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29510 Aulacocephalus temmincki Species Serranidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18284 Cytisus ciliatus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17804 Melanocarpus albomyces Species Chaetomiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29154 Heliotropium floridum Species Heliotropiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO839 Sorocea ilicifolia Species Moraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29292 Teucrium depressum Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3099 Euphorbia esula Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15095 Hippophae rhamnoides Species Elaeagnaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14477 Comamonas testosteroni Species Comamonadaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO5062 Aristolochia tagala Species Aristolochiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29189 Castanopsis sclerophylla Species Fagaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7166 Streptomyces aureus Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO20708 Mesua beccariana Species Calophyllaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25981 Crinipellis scabella Species Marasmiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15832 Ruscus hypophyllum Species Asparagaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13892 Calea clausseniana Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3744 Polycephalomyces nipponicus Species Ophiocordycipitaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9157 Rubrivivax gelatinosus Species n.a. Bacteria n.a. n.a. n.a. Database[UNPD]
NPO16631 Libocedrus yateensis Species Cupressaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29488 Sophora angustifolia Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29344 Parabenzoin trilobum n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO21076 Nephthea armata Species Nephtheidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29068 Papilio phorcas Species Papilionidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO24071 Girgensohnia diptera Species Chenopodiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26383 Lemna trisulca Species Araceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO13645 Armoracia rusticana Species Brassicaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO12173 Zantedeschia aethiopica Species Araceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17771 Senna didymobotrya Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15580 Justicia simplex Species Acanthaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO1048 Ajuga reptans Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22525 Lobophytum denticulatum Species Alcyoniidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO426 Camellia reticulata Species Theaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26308 Lithocarpus polystachyus Species Fagaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17933 Cylicodaphne sebifera n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO26888 Narcissus asturiensis Species Amaryllidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4283 Tripteris vaillantii Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17488 Rhoiptelea chiliantha Species Juglandaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO7740 Clitocybula oculus Species Tricholomataceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22923 Parthenium bipinnatifidum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26172 Dryopteris sacrosancta Species Dryopteridaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO4669 Hydnocarpus octandra Species Achariaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO19330 Cephalaria procera Species Caprifoliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22007 Acer spicatum Species Sapindaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26190 Aspergillus wentii Species Aspergillaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21819 Domohinea perrieri Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3808 Elaeagnus angustifolia Species Elaeagnaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26215 Eleusine indica Species Poaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17048 Jungermannia subulata Species Jungermanniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21665.1 Mycobacterium avium subsp. paratuberculosis Subspecies Mycobacteriaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO11822 Antitrogus consanguineus Species Scarabaeidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14460 Berberis aquifolium Species Berberidaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18903 Chromodoris willani Species Chromodorididae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO201 Gmelina arborea Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22125 Helipterum propinquum Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29112 Streptomyces luteosporeus Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO17813 Pittosporum undulatum Species Pittosporaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26906 Astragalus interpositus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18566 Gymnocladus dioicus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17264 Mycena haematopus Species Tricholomataceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26839 Microlepia speluncae Species Dennstaedtiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18366 Papaver commutatum Species Papaveraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17168 Ageratina riparia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2994 Hornschuchia citriodora Species Annonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16657 Diospyros maritima Species Ebenaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26931 Dolichothele uberiformis n.a. n.a. n.a. n.a. n.a. n.a. Database[UNPD]
NPO10544 Centaurea napifolia Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18044 Lotus albus Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO21295 Botryotrichum piluliferum Species Chaetomiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO9798 Paeonia lactiflora Species Paeoniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26411 Stemphylium radicinum Species Pleosporaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26661 Heimia salicifolia Species Lythraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26568 Rubus koehneanus Species Rosaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO25876 Chromodoris inornata Species Chromodorididae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17823 Lycium chinense Species Solanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO29041 Scutellaria orientalis Species Lamiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22064 Mannia fragrans Species Aytoniaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5951 Crotalaria ferruginea Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO11316 Pandanus boninensis Species Pandanaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16421 Chalciporus piperatus Species Boletaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2066 Streptomyces ipomoeae Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO9585 Oenothera biennis Species Onagraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO28292 Streptomyces microflavus Species Streptomycetaceae Bacteria n.a. n.a. n.a. Database[UNPD]
NPO4791 Murrayella periclados Species Rhodomelaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO16205 Euphorbia fischeriana Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO3095 Aster conspicuus Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8432 Haminoea orbignyana Species Haminoeidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO26629 Caesalpinia pulcherrima Species Fabaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO22867 Stephanitis rhododendri Species Tingidae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18932.1 Melia azedarach var. toosendan Varieties Meliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO15416 Petasites fragrans Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO18932 Melia azedarach Species Meliaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO2935 Zanthoxylum parviflorum Species Rutaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO14246 Helleborus thibetanus Species Ranunculaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO17458 Sparganium stoloniferum Species Typhaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO20649 Rhizopogon pumilionus Species Rhizopogonaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO8534 Cineraria saxifraga Species Asteraceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO299 Euphorbia ebracteolata Species Euphorbiaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO10650 Serenoa repens Species Arecaceae Eukaryota n.a. n.a. n.a. Database[UNPD]
NPO5622 Viola formosana Species Hesperiidae 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 Organism Name Organism Material Preparation Organism Part NP Quantity (Standard) NP Quantity (Minimum) NP Quantity (Maximum) Quantity Unit Reference
NPO10650 Serenoa repens n.a. n.a. 8.7 ± 0.3 n.a. n.a. % PMID[39418714]
NPO9585 Oenothera biennis Other Seed 3.1 2 4.2 mg/100g Database [DUKE]
NPO9798 Paeonia lactiflora The AOCS Official Method Seeds 105.43 ± 10.94 n.a. n.a. mg/kg PMID[33063333]
NPO9798 Paeonia lactiflora The AOCS Official Method Seeds 50.57 ± 0.04 n.a. n.a. mg/kg PMID[33063333]
NPO9798 Paeonia lactiflora The AOCS Official Method Seeds 62.02 ± 6.3915 n.a. n.a. mg/kg PMID[33063333]
NPO9798 Paeonia lactiflora The AOCS Official Method Seeds 68.86 ± 2.35 n.a. n.a. mg/kg PMID[33063333]
NPO9798 Paeonia lactiflora The AOCS Official Method Seeds 80.30 ± 4.74 n.a. n.a. mg/kg PMID[33063333]
NPO9798 Paeonia lactiflora n.a. Seeds 17.38 ± 0.46 n.a. n.a. mg/100g DOI[10.1016/j.foodres.2020.109416]
NPO9798 Paeonia lactiflora n.a. Seeds 16.87 ± 0.68 n.a. n.a. mg/100g DOI[10.1016/j.foodres.2020.109416]
NPO9798 Paeonia lactiflora n.a. Seeds 10.03 ± 0.08 n.a. n.a. mg/100g DOI[10.1016/j.foodres.2020.109416]
NPO9798 Paeonia lactiflora n.a. Seeds 10.93 ± 0.28 n.a. n.a. mg/100g DOI[10.1016/j.foodres.2020.109416]
NPO9798 Paeonia lactiflora n.a. Seeds 11.89 ± 0.36 n.a. n.a. mg/100g DOI[10.1016/j.foodres.2020.109416]

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

Molecular-level activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT202 Individual protein Protease Human immunodeficiency virus 1 Inhibition = 19.0 % PMID[10691716]
NPT202 Individual protein Protease Human immunodeficiency virus 1 IC50 > 100.0 ug.mL-1 PMID[10691716]

In vitro activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT80 Cell line Raji Homo sapiens Activity = 70.0 % PMID[17503850]
NPT164 Organism Human herpesvirus 4 Human herpesvirus 4 Inhibition = 0.0 % PMID[17503850]
NPT164 Organism Human herpesvirus 4 Human herpesvirus 4 Inhibition = 23.2 % PMID[17503850]
NPT164 Organism Human herpesvirus 4 Human herpesvirus 4 Inhibition = 68.1 % PMID[17503850]
NPT164 Organism Human herpesvirus 4 Human herpesvirus 4 Inhibition = 91.4 % PMID[17503850]
NPT164 Organism Human herpesvirus 4 Human herpesvirus 4 IC50 = 8.8 nM PMID[17503850]
NPT2 Others Unspecified n.a. Activity = 1.7 n.a. PMID[17503850]

In vivo activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference





 Experimental ADME

Experiment Model Experiment Tissue ADME Type ADME Relation ADME Value ADME Unit Reference





 Experimental Toxicity

Quantitative toxicity

Experiment Model Experiment Organism Toxicity Type Toxicity Relation Toxicity Value Toxicity Unit Reference

Common Abbreviations:
LC: Lethal Concentration; LD: Lethal Dose; LT:Lethal Time; NOAEL: No-observed-adverse-effect Level; BMDL: Benchmark Dose Lower Confidence Limit; BMD: Benchmark Dose; BMC:Benchmark Concentration; LOAEL: Lowest Observed Adverse Effect Level; RfD:Reference Dose; RfC:Reference Concentration; MRL: Minimal Risk Level; MEG: Maximum Exposure Guideline; PAC: Protective Action Criteria

Categorical toxicity labels

Hepatotoxicity Carcinogenicity Mutagenicity Cardiotoxicity Respiratory Toxicity Eye Irritation Endocrine Disruption
Hepatotoxicity Carcinogenicity Mutagenicity Cardiotoxicity Respiratory Toxicity Eye Irritation Endocrine Disruption

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 toxicity records from domain-specific databases. These databases include:
ToxValDB: a curated database that compiles quantitative toxicity values for chemicals from diverse public sources to support toxicological research and risk assessment.
TOXRIC: a comprehensive, free-to-access, online database providing toxicological/feature data. The toxicity labels are retrieved from this database. [PMID: 36400569]


  Chemically structural similarity

Similar Active Natural Products in NPASS

Top-200 similar NPs were calculated against the active-NP-set (includes approximately 50,000 NPs with experimentally-derived bioactivity available in NPASS)

Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.

●  The left chart: Distribution of similarity level between NPC254509 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.5 or Top200).

Similarity Score Similarity Level Natural Product ID
0.8261 Intermediate Similarity NPC607543
0.8125 Intermediate Similarity NPC472342
0.7959 Intermediate Similarity NPC70982
0.7708 Intermediate Similarity NPC331618
0.7708 Intermediate Similarity NPC257191
0.7708 Intermediate Similarity NPC196358
0.76 Intermediate Similarity NPC49168
0.76 Intermediate Similarity NPC5046
0.7551 Intermediate Similarity NPC200243
0.7308 Intermediate Similarity NPC195489
0.7292 Intermediate Similarity NPC41577
0.72 Intermediate Similarity NPC85346
0.72 Intermediate Similarity NPC65897
0.72 Intermediate Similarity NPC80237
0.72 Intermediate Similarity NPC604180
0.7143 Intermediate Similarity NPC299948
0.7143 Intermediate Similarity NPC241085
0.7115 Intermediate Similarity NPC76518
0.7091 Intermediate Similarity NPC483817
0.6731 Remote Similarity NPC470830
0.6731 Remote Similarity NPC195530
0.6731 Remote Similarity NPC479659
0.6731 Remote Similarity NPC273366
0.6545 Remote Similarity NPC89747
0.6538 Remote Similarity NPC82623
0.6481 Remote Similarity NPC472341
0.6333 Remote Similarity NPC146937
0.6296 Remote Similarity NPC473279
0.6296 Remote Similarity NPC22133
0.625 Remote Similarity NPC473238
0.6111 Remote Similarity NPC107704
0.6071 Remote Similarity NPC230704
0.6034 Remote Similarity NPC18384
0.6034 Remote Similarity NPC110923
0.6034 Remote Similarity NPC74296
0.5965 Remote Similarity NPC134481
0.5893 Remote Similarity NPC189917
0.5893 Remote Similarity NPC96812
0.5893 Remote Similarity NPC67872
0.5893 Remote Similarity NPC39462
0.5833 Remote Similarity NPC195366
0.5833 Remote Similarity NPC114743
0.5818 Remote Similarity NPC145552
0.5789 Remote Similarity NPC12722
0.5667 Remote Similarity NPC47808
0.5574 Remote Similarity NPC85379
0.5574 Remote Similarity NPC144909
0.5574 Remote Similarity NPC476304
0.55 Remote Similarity NPC476186
0.5469 Remote Similarity NPC288906
0.5439 Remote Similarity NPC302041
0.5424 Remote Similarity NPC606508
0.541 Remote Similarity NPC307776
0.5345 Remote Similarity NPC118508
0.5263 Remote Similarity NPC69149
0.5254 Remote Similarity NPC477858
0.5085 Remote Similarity NPC113978
0.5075 Remote Similarity NPC266431

Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC254509 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
NPD

Bioactivity similarity

  Bioactivity similarity

Similar Natural Products in NPASS

Similarity level is defined by 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