Molecular Weight:   | 294.26 |
Volume:   | 346.851 |
LogP:   | 5.022 |
LogD:   | 4.395 |
LogS:   | -3.643 |
# Rotatable Bonds:   | 15 |
TPSA:   | 26.3 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 2 |
QED Drug-Likeness Score:   | 0.224 |
Synthetic Accessibility Score:   | 2.313 |
Fsp3:   | 0.737 |
Lipinski Rule-of-5:   | Accepted |
Pfizer Rule:   | Rejected |
GSK Rule:   | Rejected |
BMS Rule:   | 0 |
Golden Triangle Rule:   | Accepted |
Chelating Alert:   | 0 |
PAINS Alert:   | 0 |
Caco-2 Permeability:   | -4.858 |
MDCK Permeability:   | 4.7920042561599985e-05 |
Pgp-inhibitor:   | 0.001 |
Pgp-substrate:   | 0.0 |
Human Intestinal Absorption (HIA):   | 0.059 |
20% Bioavailability (F20%):   | 0.998 |
30% Bioavailability (F30%):   | 1.0 |
Blood-Brain-Barrier Penetration (BBB):   | 0.908 |
Plasma Protein Binding (PPB):   | 97.87530517578125% |
Volume Distribution (VD):   | 2.86 |
Pgp-substrate:   | 1.6753041744232178% |
CYP1A2-inhibitor:   | 0.648 |
CYP1A2-substrate:   | 0.621 |
CYP2C19-inhibitor:   | 0.518 |
CYP2C19-substrate:   | 0.182 |
CYP2C9-inhibitor:   | 0.423 |
CYP2C9-substrate:   | 0.951 |
CYP2D6-inhibitor:   | 0.603 |
CYP2D6-substrate:   | 0.87 |
CYP3A4-inhibitor:   | 0.803 |
CYP3A4-substrate:   | 0.121 |
Clearance (CL):   | 5.396 |
Half-life (T1/2):   | 0.913 |
hERG Blockers:   | 0.167 |
Human Hepatotoxicity (H-HT):   | 0.176 |
Drug-inuced Liver Injury (DILI):   | 0.037 |
AMES Toxicity:   | 0.225 |
Rat Oral Acute Toxicity:   | 0.036 |
Maximum Recommended Daily Dose:   | 0.117 |
Skin Sensitization:   | 0.961 |
Carcinogencity:   | 0.352 |
Eye Corrosion:   | 0.426 |
Eye Irritation:   | 0.474 |
Respiratory Toxicity:   | 0.775 |
Natural Product ID:   | NPC39633 |
Common Name*:   | Methyl (9Z,12Z)-Octadeca-9,12-Dienoate |
IUPAC Name:   | methyl (9Z,12Z)-octadeca-9,12-dienoate |
Synonyms:   | |
Standard InCHIKey:   | WTTJVINHCBCLGX-NQLNTKRDSA-N |
Standard InCHI:   | InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10- |
SMILES:   | CCCCC/C=CC/C=CCCCCCCCC(=O)OC |
Synthetic Gene Cluster:   | n.a. |
ChEMBL Identifier:   | CHEMBL3183866 |
PubChem CID:   |
5284421 |
Chemical Classification**:   |
|
*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.
Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | Seeds | n.a. | DOI[10.1002/ejlt.201100207] | |
NPO11776 | Lithospermum erythrorhizon | Species | Boraginaceae | Eukaryota | n.a. | root | n.a. | DOI[10.1007/s11418-007-0221-0] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1007/s11746-997-0093-1] |
NPO27288 | Citrus maxima | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1016/S0031-9422(99)00119-3] |
NPO15351 | Streptomyces prunicolor | Species | Streptomycetaceae | Bacteria | n.a. | mycelium | n.a. | DOI[10.1021/np50098a008] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | Seeds | n.a. | DOI[10.5219/332] | |
NPO1394 | Penicillium sclerotigenum | Species | Aspergillaceae | Eukaryota | sclerotia | n.a. | n.a. |
PMID[10217735] |
NPO4331 | Plakortis lita | Species | Plakinidae | Eukaryota | n.a. | Palauan | n.a. |
PMID[10479343] |
NPO4331 | Plakortis lita | Species | Plakinidae | Eukaryota | n.a. | Okinawan | n.a. |
PMID[11277756] |
NPO11438 | Angelica gigas | Species | Apiaceae | Eukaryota | n.a. | root | n.a. |
PMID[11374978] |
NPO6541 | Scrophularia buergeriana | Species | Scrophulariaceae | Eukaryota | roots | n.a. | n.a. |
PMID[12444706] |
NPO11421 | Arnebia euchroma | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[12502328] |
NPO25825 | Saussurea lappa | Species | Asteraceae | Eukaryota | Roots | n.a. | n.a. |
PMID[14510592] |
NPO26327 | Chaenomeles sinensis | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[14600382] |
NPO11438 | Angelica gigas | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[15679317] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | root | n.a. |
PMID[15894448] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[15894448] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | aerial parts | purchased in Juhuacun herbal market, Kunming, Yunnan Province, China | 2002-Oct |
PMID[16562826] |
NPO15462 | Angelica sinensis | Species | Apiaceae | Eukaryota | roots | purchased from Kiu Shun Trading Ltd., Vancouver, Canada | 2000 |
PMID[16643021] |
NPO25126 | Sarcophyton latum | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[16724849] |
NPO25126 | Sarcophyton latum | Species | Orchidaceae | Eukaryota | n.a. | Hainan soft coral | n.a. |
PMID[16724849] |
NPO25660 | Gypsophila oldhamiana | Species | Caryophyllaceae | Eukaryota | n.a. | root | n.a. |
PMID[16880670] |
NPO27260 | Polygala tenuifolia | Species | Polygalaceae | Eukaryota | roots | n.a. | n.a. |
PMID[16989524] |
NPO11776 | Lithospermum erythrorhizon | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[17157006] |
NPO25660 | Gypsophila oldhamiana | Species | Caryophyllaceae | Eukaryota | n.a. | root | n.a. |
PMID[17409564] |
NPO11438 | Angelica gigas | Species | Apiaceae | Eukaryota | n.a. | root | n.a. |
PMID[17997069] |
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | rhizomes | n.a. | n.a. |
PMID[18177011] |
NPO25660 | Gypsophila oldhamiana | Species | Caryophyllaceae | Eukaryota | roots | n.a. | n.a. |
PMID[18194870] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18357994] |
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[18409045] |
NPO11776 | Lithospermum erythrorhizon | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19217780] |
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19271742] |
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | flower buds | n.a. | n.a. |
PMID[19926279] |
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[20590154] |
NPO28265 | Morus alba | Species | Moraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[20815207] |
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | n.a. | root | n.a. |
PMID[2092947] |
NPO28542 | Streptocarpus dunnii | Species | Gesneriaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[21174407] |
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | berry | n.a. | n.a. |
PMID[21216145] |
NPO28265 | Morus alba | Species | Moraceae | Eukaryota | n.a. | root | n.a. |
PMID[21319773] |
NPO28265 | Morus alba | Species | Moraceae | Eukaryota | n.a. | bark | n.a. |
PMID[21319773] |
NPO28265 | Morus alba | Species | Moraceae | Eukaryota | n.a. | leaf | n.a. |
PMID[21319773] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[21598983] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[22026410] |
NPO23270 | Neolitsea daibuensis | Species | Lauraceae | Eukaryota | n.a. | root | n.a. |
PMID[22148193] |
NPO28265 | Morus alba | Species | Moraceae | Eukaryota | n.a. | leaf | n.a. |
PMID[22207282] |
NPO18007 | Agrimonia pilosa | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[22281186] |
NPO28542 | Streptocarpus dunnii | Species | Gesneriaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[22472691] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[22537213] |
NPO23548 | Leonurus heterophyllus | Species | Lamiaceae | Eukaryota | Fruits | n.a. | n.a. |
PMID[22703163] |
NPO27260 | Polygala tenuifolia | Species | Polygalaceae | Eukaryota | n.a. | rhizome | n.a. |
PMID[22863942] |
NPO28265 | Morus alba | Species | Moraceae | Eukaryota | n.a. | root | n.a. |
PMID[23806866] |
NPO27260 | Polygala tenuifolia | Species | Polygalaceae | Eukaryota | aerial parts | n.a. | n.a. |
PMID[24042007] |
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | leaves | n.a. | n.a. |
PMID[24290061] |
NPO23548 | Leonurus heterophyllus | Species | Lamiaceae | Eukaryota | Fruits | n.a. | n.a. |
PMID[24328283] |
NPO12182 | Murraya exotica | Species | Rutaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[24354205] |
NPO2715 | Murraya paniculata | Species | Rutaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[24354205] |
NPO12182 | Murraya exotica | Species | Rutaceae | Eukaryota | n.a. | twig | n.a. |
PMID[24354205] |
NPO2715 | Murraya paniculata | Species | Rutaceae | Eukaryota | n.a. | twig | n.a. |
PMID[24354205] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[24417583] |
NPO23548 | Leonurus heterophyllus | Species | Lamiaceae | Eukaryota | n.a. | aerial part | n.a. |
PMID[24704554] |
NPO28265 | Morus alba | Species | Moraceae | Eukaryota | root bark | University of Veterinary and Pharmaceutical Sciences Brno (UVPS Brno), Brno, Czech Republic | 2011-APR |
PMID[24901948] |
NPO28265 | Morus alba | Species | Moraceae | Eukaryota | n.a. | Konya, Turkey | 2007-APR |
PMID[24901948] |
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[24968750] |
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25152999] |
NPO15462 | Angelica sinensis | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25538068] |
NPO26327 | Chaenomeles sinensis | Species | Rosaceae | Eukaryota | Twigs | n.a. | n.a. |
PMID[25894905] |
NPO28265 | Morus alba | Species | Moraceae | Eukaryota | leaves | Chungbuk, Korea | n.a. |
PMID[25935644] |
NPO28265 | Morus alba | Species | Moraceae | Eukaryota | n.a. | root | n.a. |
PMID[25981820] |
NPO11898 | Lobophora variegata | Species | Dictyotaceae | Eukaryota | n.a. | at depths of 630 m at El Mdano (Tenerife, Canary Islands) | n.a. |
PMID[26126835] |
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | stems-leaves | n.a. | n.a. |
PMID[26420067] |
NPO18951 | Ligusticum sinense | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[26521454] |
NPO5247 | Elaphoglossum lindbergii | Species | Dryopteridaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[26689830] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | Seeds | n.a. | n.a. |
PMID[26923696] |
NPO8247 | Austrobaileya scandens | Species | Austrobaileyaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[27214307] |
NPO28265 | Morus alba | Species | Moraceae | Eukaryota | n.a. | latex | n.a. |
PMID[27294120] |
NPO15462 | Angelica sinensis | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[27400088] |
NPO18007 | Agrimonia pilosa | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[27588326] |
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | n.a. | stem | n.a. |
PMID[27914541] |
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | Flower Buds | n.a. | n.a. |
PMID[28345906] |
NPO26327 | Chaenomeles sinensis | Species | Rosaceae | Eukaryota | Twigs | n.a. | n.a. |
PMID[28358502] |
NPO2861 | Pentaceraster regulus | Species | n.a. | n.a. | n.a. | n.a. | n.a. |
PMID[28981263] |
NPO1436 | Houttuynia cordata | Species | Saururaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[29099182] |
NPO12182 | Murraya exotica | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[29303577] |
NPO28265 | Morus alba | Species | Moraceae | Eukaryota | Root barks | n.a. | n.a. |
PMID[3097265] |
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[32129622] |
NPO26277 | Euphorbia hirta | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[32141299] |
NPO23548 | Leonurus heterophyllus | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[32935986] |
NPO11776 | Lithospermum erythrorhizon | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[3373224] |
NPO25825 | Saussurea lappa | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[3572418] |
NPO11421 | Arnebia euchroma | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[7775984] |
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | n.a. | rhizome | n.a. |
PMID[8064299] |
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[8064299] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[8377022] |
NPO13981 | Helianthella quinquenervis | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[8882437] |
NPO4331 | Plakortis lita | Species | Plakinidae | Eukaryota | n.a. | n.a. | n.a. |
PMID[9722494] |
NPO19649 | Akebia quinata | Species | Lardizabalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[Article] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | Seed Oil | n.a. | n.a. | Database[FooDB] |
NPO27288 | Citrus maxima | Species | Rutaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO13274 | Illicium verum | Species | Schisandraceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO13274 | Illicium verum | Species | Schisandraceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO13274 | Illicium verum | Species | Schisandraceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | Plant | n.a. | n.a. | Database[FooDB] |
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | Resin, Exudate, Sap | n.a. | n.a. | Database[FooDB] |
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | Rhizome | n.a. | n.a. | Database[FooDB] |
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | Root | n.a. | n.a. | Database[FooDB] |
NPO13274 | Illicium verum | Species | Schisandraceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO27260 | Polygala tenuifolia | Species | Polygalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO569 | Micromelum integerrimum | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO26327 | Chaenomeles sinensis | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO31073 | Ligusticum chuanxiong | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO2921 | Angelica acutiloba | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22500 | Stephania dielsiana | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO12853 | Leucocarpus perfoliatus | Species | Phrymaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO27018 | Cynomorium songaricum | Species | Cynomoriaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO28265 | Morus alba | Species | Moraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO15462 | Angelica sinensis | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO6541 | Scrophularia buergeriana | Species | Scrophulariaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO18007 | Agrimonia pilosa | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO11170 | Akebia trifoliata | Species | Lardizabalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO21485 | Polygala sibirica | Species | Polygalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO9266 | Stephania delavayi | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO16741 | Codonopsis pilosula | Species | Campanulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO19649 | Akebia quinata | Species | Lardizabalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO1436 | Houttuynia cordata | Species | Saururaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO12633 | Rapanea neurophylla | Species | Primulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO20297 | Arnebia guttata | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO18951 | Ligusticum sinense | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO21824 | Lycopus lucidus | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO11438 | Angelica gigas | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO21600 | Aconitum variegatum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO11776 | Lithospermum erythrorhizon | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO2715 | Murraya paniculata | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO13274 | Illicium verum | Species | Schisandraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO11421 | Arnebia euchroma | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO10530 | Aconitum subcuneatum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22033 | Cnidium officinale | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO26277 | Euphorbia hirta | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[MetaboLights] |
NPO11170 | Akebia trifoliata | Species | Lardizabalaceae | Eukaryota | n.a. | pericarp | n.a. |
PMID[p25172756] |
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO27288 | Citrus maxima | Species | Rutaceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO21600 | Aconitum variegatum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO18007 | Agrimonia pilosa | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO9266 | Stephania delavayi | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO12182 | Murraya exotica | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13274 | Illicium verum | Species | Schisandraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22033 | Cnidium officinale | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO20297 | Arnebia guttata | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO2921 | Angelica acutiloba | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO25825 | Saussurea lappa | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO2715 | Murraya paniculata | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO29399 | Microdochium nivale | Species | Microdochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11776 | Lithospermum erythrorhizon | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO6541 | Scrophularia buergeriana | Species | Scrophulariaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO27018 | Cynomorium songaricum | Species | Cynomoriaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11206 | Trifolium hybridum | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11421 | Arnebia euchroma | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11170 | Akebia trifoliata | Species | Lardizabalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO15462 | Angelica sinensis | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO25214 | Uvaria narum | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO21485 | Polygala sibirica | Species | Polygalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO27288 | Citrus maxima | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22500 | Stephania dielsiana | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO18951 | Ligusticum sinense | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO569 | Micromelum integerrimum | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO1436 | Houttuynia cordata | Species | Saururaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO12853 | Leucocarpus perfoliatus | Species | Phrymaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO27260 | Polygala tenuifolia | Species | Polygalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO27661 | Radix codonopsis pilosulae | Species | Lymnaeidae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO10530 | Aconitum subcuneatum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO12633 | Rapanea neurophylla | Species | Primulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11327 | Lactarius necator | Species | Russulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO28265 | Morus alba | Species | Moraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO23548 | Leonurus heterophyllus | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO21824 | Lycopus lucidus | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11438 | Angelica gigas | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO26327 | Chaenomeles sinensis | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO5844 | Schlumbergera truncata | Species | Cactaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO19649 | Akebia quinata | Species | Lardizabalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO3465 | Aconitum leucostomum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO16741 | Codonopsis pilosula | Species | Campanulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO26277 | Euphorbia hirta | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO2921 | Angelica acutiloba | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO2715 | Murraya paniculata | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO27260 | Polygala tenuifolia | Species | Polygalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO1436 | Houttuynia cordata | Species | Saururaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO27018 | Cynomorium songaricum | Species | Cynomoriaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO11421 | Arnebia euchroma | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO19649 | Akebia quinata | Species | Lardizabalaceae | 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] |
NPO6541 | Scrophularia buergeriana | Species | Scrophulariaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO11438 | Angelica gigas | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO9266 | Stephania delavayi | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO21824 | Lycopus lucidus | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO10530 | Aconitum subcuneatum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO11776 | Lithospermum erythrorhizon | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO28265 | Morus alba | Species | Moraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO569 | Micromelum integerrimum | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO21600 | Aconitum variegatum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO16741 | Codonopsis pilosula | Species | Campanulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO31073 | Ligusticum chuanxiong | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO18951 | Ligusticum sinense | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO21485 | Polygala sibirica | Species | Polygalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO13274 | Illicium verum | Species | Schisandraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO20297 | Arnebia guttata | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO18007 | Agrimonia pilosa | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO11170 | Akebia trifoliata | Species | Lardizabalaceae | 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] |
NPO31286 | Dolichos lablab | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO3465 | Aconitum leucostomum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO27260 | Polygala tenuifolia | Species | Polygalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO2921 | Angelica acutiloba | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO26327 | Chaenomeles sinensis | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO13274 | Illicium verum | Species | Schisandraceae | 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] |
NPO18951 | Ligusticum sinense | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO20553 | Zingiber officinale | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO28265 | Morus alba | Species | Moraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO25660 | Gypsophila oldhamiana | Species | Caryophyllaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO11776 | Lithospermum erythrorhizon | Species | Boraginaceae | 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] |
NPO1436 | Houttuynia cordata | Species | Saururaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO19649 | Akebia quinata | Species | Lardizabalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO22033 | Cnidium officinale | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO21485 | Polygala sibirica | Species | Polygalaceae | 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] |
NPO16741 | Codonopsis pilosula | Species | Campanulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO27018 | Cynomorium songaricum | Species | Cynomoriaceae | 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] |
NPO11438 | Angelica gigas | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO21824 | Lycopus lucidus | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO26277 | Euphorbia hirta | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO2943 | Sraitia grosvenorii | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO11421 | Arnebia euchroma | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO12182 | Murraya exotica | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO18007 | Agrimonia pilosa | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO25825 | Saussurea lappa | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO11170 | Akebia trifoliata | Species | Lardizabalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO20297 | Arnebia guttata | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO6541 | Scrophularia buergeriana | Species | Scrophulariaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO27288 | Citrus maxima | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12633 | Rapanea neurophylla | Species | Primulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO6053 | Veronica intercedens | Species | Plantaginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1462 | Amomum sulcatum | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2040 | Inocybe patouillardii | Species | Inocybaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27884 | Sphacelaria arctica | Species | Sphacelariaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13274 | Illicium verum | Species | Schisandraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23374 | Cortinarius bulbiger | Species | Cortinariaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18007 | Agrimonia pilosa | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2996 | Pistacia atlantica | Species | Anacardiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9363 | Ferula ammoniacum | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26327 | Chaenomeles sinensis | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23479 | Elaeodendron buchananii | Species | Celastraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4888 | Salvia divaricata | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21344 | Fadogia agrestis | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7560 | Tachardia acaciae | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21824 | Lycopus lucidus | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25581 | Coelospermum paniculatum | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25825 | Saussurea lappa | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25247 | Dendrobium tosaense | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26277 | Euphorbia hirta | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23270 | Neolitsea daibuensis | Species | Lauraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2921 | Angelica acutiloba | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3471 | Suillellus luridus | Species | Boletaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10139 | Sarcomelicope follicularis | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9606 | Castanea dentata | Species | Fagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7401 | Centaurea dealbata | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3465 | Aconitum leucostomum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21485 | Polygala sibirica | Species | Polygalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1394 | Penicillium sclerotigenum | Species | Aspergillaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20584 | Cheilanthes fragrans | Species | Pteridaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13981 | Helianthella quinquenervis | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21534 | Ostrya carpinifolia | Species | Betulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28265 | Morus alba | Species | Moraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12146 | Stemodia maritima | Species | Plantaginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23548 | Leonurus heterophyllus | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO29399 | Microdochium nivale | Species | Microdochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23613 | Hypselodoris capensis | Species | Chromodorididae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8247 | Austrobaileya scandens | Species | Austrobaileyaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2861 | Pentaceraster regulus | Species | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21600 | Aconitum variegatum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10785 | Hypotrachyna neodamaziana | Species | Parmeliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11327 | Lactarius necator | Species | Russulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18951 | Ligusticum sinense | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20297 | Arnebia guttata | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12182 | Murraya exotica | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4331 | Plakortis lita | Species | Plakinidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1116 | Periconia atropurpurea | Species | Periconiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5844 | Schlumbergera truncata | Species | Cactaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5714 | Rogeria adenophylla | Species | Pedaliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23883 | Penicillium abidjanum | Species | Aspergillaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28891 | Trichocline reptans | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7167 | Hosta undulata | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO772 | Bosistoa floydii | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20655 | Virola pavonis | Species | Myristicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11527 | Ibacus peronii | Species | Scyllaridae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO6791 | Malva rotundifolia | Species | Malvaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO345 | Quercus laurifolia | Species | Fagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO569 | Micromelum integerrimum | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO6541 | Scrophularia buergeriana | Species | Scrophulariaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1044 | Caiman crocodilus | Species | Alligatoridae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10530 | Aconitum subcuneatum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28542 | Streptocarpus dunnii | Species | Gesneriaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11170 | Akebia trifoliata | Species | Lardizabalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12853 | Leucocarpus perfoliatus | Species | Phrymaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO6305 | Euphorbia jaxartica | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3331 | Hedysarum sachalinense | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9266 | Stephania delavayi | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22500 | Stephania dielsiana | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16741 | Codonopsis pilosula | Species | Campanulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25214 | Uvaria narum | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27260 | Polygala tenuifolia | Species | Polygalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2715 | Murraya paniculata | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11898 | Lobophora variegata | Species | Dictyotaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8243 | Euphorbia supina | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2207 | Sphaerella rubella | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5247 | Elaphoglossum lindbergii | Species | Dryopteridaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24350 | Hammarbya paludosa | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25660 | Gypsophila oldhamiana | Species | Caryophyllaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11421 | Arnebia euchroma | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25126 | Sarcophyton latum | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28077 | Phytophthora cactorum | Species | n.a. | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5582 | Inocybe aeruginascens | Species | Inocybaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11776 | Lithospermum erythrorhizon | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15462 | Angelica sinensis | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19649 | Akebia quinata | Species | Lardizabalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25554 | Yucca filifera | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15351 | Streptomyces prunicolor | Species | Streptomycetaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13724 | Garcinia celebica | Species | Clusiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11206 | Trifolium hybridum | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11438 | Angelica gigas | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9215 | Papaver glaucum | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO134 | Cassia artemisioides | Species | Fabaceae | 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].
Organism ID | NP ID | Organism Material Preparation | Organism Part | NP Quantity (Standard) | NP Quantity (Minimum) | NP Quantity (Maximum) | Quantity Unit | Reference |
---|
☑ 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].
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | n.a. | 48972.2 | nM | PubChem BioAssay data set |
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | n.a. | 68589.6 | nM | PubChem BioAssay data set |
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | n.a. | 21875.1 | nM | PubChem BioAssay data set |
NPT162 | Individual Protein | Heat shock protein beta-1 | Homo sapiens | Potency | n.a. | 43646.5 | nM | PubChem BioAssay data set |
NPT106 | Individual Protein | Peroxisome proliferator-activated receptor delta | Homo sapiens | Potency | n.a. | 54947.7 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | n.a. | 43646.5 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 24544.2 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 48972.2 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 68589.6 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 3814 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 54947.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 61652.4 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 38900 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 54482.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 61130.6 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 27539.1 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 30637.9 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 24064.5 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 15486.4 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 60996.8 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 8538.4 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 3848.6 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 21689.9 | nM | PubChem BioAssay data set | |
NPT74 | Individual Protein | Proto-oncogene c-JUN | Homo sapiens | Potency | n.a. | 43646.5 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | n.a. | 34669.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 17376 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 27306 | 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.
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 NPC39633 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 |
---|---|---|
1.0 | High Similarity | NPC309606 |
1.0 | High Similarity | NPC139545 |
0.9608 | High Similarity | NPC128061 |
0.9608 | High Similarity | NPC228473 |
0.9608 | High Similarity | NPC200845 |
0.9608 | High Similarity | NPC223677 |
0.9608 | High Similarity | NPC28779 |
0.9608 | High Similarity | NPC10316 |
0.9592 | High Similarity | NPC262968 |
0.9388 | High Similarity | NPC224227 |
0.9216 | High Similarity | NPC71761 |
0.9038 | High Similarity | NPC424 |
0.9038 | High Similarity | NPC281972 |
0.9038 | High Similarity | NPC85813 |
0.9038 | High Similarity | NPC154245 |
0.9038 | High Similarity | NPC87564 |
0.9038 | High Similarity | NPC25417 |
0.9038 | High Similarity | NPC261831 |
0.9038 | High Similarity | NPC88966 |
0.9038 | High Similarity | NPC32467 |
0.9038 | High Similarity | NPC290563 |
0.9038 | High Similarity | NPC6095 |
0.898 | High Similarity | NPC216130 |
0.8846 | High Similarity | NPC1813 |
0.8846 | High Similarity | NPC139029 |
0.8846 | High Similarity | NPC70387 |
0.8846 | High Similarity | NPC321062 |
0.8846 | High Similarity | NPC36061 |
0.8846 | High Similarity | NPC294548 |
0.875 | High Similarity | NPC229252 |
0.875 | High Similarity | NPC143857 |
0.8704 | High Similarity | NPC18951 |
0.8704 | High Similarity | NPC477201 |
0.8654 | High Similarity | NPC92114 |
0.8654 | High Similarity | NPC161366 |
0.8654 | High Similarity | NPC281245 |
0.8596 | High Similarity | NPC201939 |
0.8448 | Intermediate Similarity | NPC54925 |
0.8431 | Intermediate Similarity | NPC207815 |
0.8421 | Intermediate Similarity | NPC243532 |
0.8364 | Intermediate Similarity | NPC187777 |
0.8364 | Intermediate Similarity | NPC179764 |
0.8305 | Intermediate Similarity | NPC68343 |
0.8305 | Intermediate Similarity | NPC328089 |
0.8269 | Intermediate Similarity | NPC59051 |
0.8246 | Intermediate Similarity | NPC274927 |
0.8246 | Intermediate Similarity | NPC106851 |
0.8214 | Intermediate Similarity | NPC225929 |
0.8182 | Intermediate Similarity | NPC54766 |
0.8182 | Intermediate Similarity | NPC274290 |
0.8182 | Intermediate Similarity | NPC473863 |
0.8077 | Intermediate Similarity | NPC163345 |
0.8077 | Intermediate Similarity | NPC5413 |
0.8077 | Intermediate Similarity | NPC149821 |
0.7966 | Intermediate Similarity | NPC328776 |
0.7966 | Intermediate Similarity | NPC320305 |
0.7963 | Intermediate Similarity | NPC310746 |
0.7903 | Intermediate Similarity | NPC148192 |
0.7903 | Intermediate Similarity | NPC127091 |
0.7903 | Intermediate Similarity | NPC475443 |
0.7903 | Intermediate Similarity | NPC271921 |
0.7903 | Intermediate Similarity | NPC22101 |
0.7903 | Intermediate Similarity | NPC473829 |
0.7903 | Intermediate Similarity | NPC104537 |
0.7903 | Intermediate Similarity | NPC330426 |
0.7885 | Intermediate Similarity | NPC207292 |
0.7885 | Intermediate Similarity | NPC180534 |
0.7885 | Intermediate Similarity | NPC91495 |
0.7869 | Intermediate Similarity | NPC255863 |
0.7869 | Intermediate Similarity | NPC318420 |
0.7869 | Intermediate Similarity | NPC136164 |
0.7869 | Intermediate Similarity | NPC245947 |
0.7869 | Intermediate Similarity | NPC326268 |
0.7857 | Intermediate Similarity | NPC474672 |
0.7857 | Intermediate Similarity | NPC52264 |
0.7797 | Intermediate Similarity | NPC235242 |
0.7797 | Intermediate Similarity | NPC45097 |
0.7797 | Intermediate Similarity | NPC174447 |
0.7797 | Intermediate Similarity | NPC122521 |
0.7797 | Intermediate Similarity | NPC251042 |
0.7778 | Intermediate Similarity | NPC48218 |
0.7778 | Intermediate Similarity | NPC473559 |
0.7778 | Intermediate Similarity | NPC324981 |
0.7778 | Intermediate Similarity | NPC141481 |
0.7705 | Intermediate Similarity | NPC470320 |
0.7692 | Intermediate Similarity | NPC110234 |
0.7692 | Intermediate Similarity | NPC44363 |
0.7692 | Intermediate Similarity | NPC163751 |
0.7679 | Intermediate Similarity | NPC87394 |
0.7679 | Intermediate Similarity | NPC137538 |
0.7667 | Intermediate Similarity | NPC174560 |
0.7667 | Intermediate Similarity | NPC125312 |
0.7667 | Intermediate Similarity | NPC40082 |
0.7667 | Intermediate Similarity | NPC321838 |
0.7656 | Intermediate Similarity | NPC317583 |
0.7656 | Intermediate Similarity | NPC473772 |
0.7636 | Intermediate Similarity | NPC216407 |
0.7636 | Intermediate Similarity | NPC18357 |
0.7619 | Intermediate Similarity | NPC26500 |
0.7619 | Intermediate Similarity | NPC99619 |
0.7551 | Intermediate Similarity | NPC28598 |
0.7551 | Intermediate Similarity | NPC161097 |
0.7538 | Intermediate Similarity | NPC476660 |
0.7538 | Intermediate Similarity | NPC42526 |
0.75 | Intermediate Similarity | NPC218477 |
0.75 | Intermediate Similarity | NPC239754 |
0.75 | Intermediate Similarity | NPC117572 |
0.746 | Intermediate Similarity | NPC304665 |
0.746 | Intermediate Similarity | NPC154728 |
0.746 | Intermediate Similarity | NPC126899 |
0.7458 | Intermediate Similarity | NPC34416 |
0.7458 | Intermediate Similarity | NPC267817 |
0.7455 | Intermediate Similarity | NPC28205 |
0.7455 | Intermediate Similarity | NPC470412 |
0.7455 | Intermediate Similarity | NPC470410 |
0.7455 | Intermediate Similarity | NPC284212 |
0.7419 | Intermediate Similarity | NPC226592 |
0.7407 | Intermediate Similarity | NPC98284 |
0.7407 | Intermediate Similarity | NPC250919 |
0.7313 | Intermediate Similarity | NPC474705 |
0.7313 | Intermediate Similarity | NPC167145 |
0.7313 | Intermediate Similarity | NPC470237 |
0.7288 | Intermediate Similarity | NPC211752 |
0.7288 | Intermediate Similarity | NPC323597 |
0.7288 | Intermediate Similarity | NPC323498 |
0.7273 | Intermediate Similarity | NPC475310 |
0.7255 | Intermediate Similarity | NPC236579 |
0.7255 | Intermediate Similarity | NPC203531 |
0.7241 | Intermediate Similarity | NPC477984 |
0.7213 | Intermediate Similarity | NPC299730 |
0.7213 | Intermediate Similarity | NPC328311 |
0.7213 | Intermediate Similarity | NPC327112 |
0.7206 | Intermediate Similarity | NPC166797 |
0.7206 | Intermediate Similarity | NPC474321 |
0.7206 | Intermediate Similarity | NPC330016 |
0.72 | Intermediate Similarity | NPC12156 |
0.7188 | Intermediate Similarity | NPC16119 |
0.7188 | Intermediate Similarity | NPC284447 |
0.7167 | Intermediate Similarity | NPC469373 |
0.7164 | Intermediate Similarity | NPC84038 |
0.7143 | Intermediate Similarity | NPC477458 |
0.7143 | Intermediate Similarity | NPC201622 |
0.7143 | Intermediate Similarity | NPC34883 |
0.7143 | Intermediate Similarity | NPC54980 |
0.7143 | Intermediate Similarity | NPC22903 |
0.7143 | Intermediate Similarity | NPC48162 |
0.7143 | Intermediate Similarity | NPC305660 |
0.7121 | Intermediate Similarity | NPC143396 |
0.7121 | Intermediate Similarity | NPC199557 |
0.7119 | Intermediate Similarity | NPC327388 |
0.7119 | Intermediate Similarity | NPC325977 |
0.7115 | Intermediate Similarity | NPC270796 |
0.7101 | Intermediate Similarity | NPC228978 |
0.7097 | Intermediate Similarity | NPC477829 |
0.7077 | Intermediate Similarity | NPC474619 |
0.7049 | Intermediate Similarity | NPC474267 |
0.7031 | Intermediate Similarity | NPC98897 |
0.7031 | Intermediate Similarity | NPC476657 |
0.7031 | Intermediate Similarity | NPC476654 |
0.7031 | Intermediate Similarity | NPC476655 |
0.7018 | Intermediate Similarity | NPC170167 |
0.7 | Intermediate Similarity | NPC474447 |
0.7 | Intermediate Similarity | NPC31551 |
0.7 | Intermediate Similarity | NPC239127 |
0.7 | Intermediate Similarity | NPC323436 |
0.7 | Intermediate Similarity | NPC219536 |
0.6984 | Remote Similarity | NPC477707 |
0.6981 | Remote Similarity | NPC287231 |
0.6981 | Remote Similarity | NPC47363 |
0.697 | Remote Similarity | NPC134385 |
0.697 | Remote Similarity | NPC476614 |
0.6957 | Remote Similarity | NPC227396 |
0.6957 | Remote Similarity | NPC306928 |
0.6949 | Remote Similarity | NPC45626 |
0.6935 | Remote Similarity | NPC81896 |
0.6935 | Remote Similarity | NPC321919 |
0.6923 | Remote Similarity | NPC476656 |
0.6923 | Remote Similarity | NPC476659 |
0.6912 | Remote Similarity | NPC186531 |
0.6912 | Remote Similarity | NPC320119 |
0.6901 | Remote Similarity | NPC145898 |
0.6885 | Remote Similarity | NPC329819 |
0.6875 | Remote Similarity | NPC234767 |
0.6875 | Remote Similarity | NPC474400 |
0.6875 | Remote Similarity | NPC34622 |
0.6866 | Remote Similarity | NPC296522 |
0.6866 | Remote Similarity | NPC144511 |
0.6866 | Remote Similarity | NPC470436 |
0.6863 | Remote Similarity | NPC149299 |
0.6863 | Remote Similarity | NPC256163 |
0.6863 | Remote Similarity | NPC250028 |
0.6863 | Remote Similarity | NPC40597 |
0.6863 | Remote Similarity | NPC165533 |
0.6857 | Remote Similarity | NPC469414 |
0.6857 | Remote Similarity | NPC329826 |
0.6857 | Remote Similarity | NPC255060 |
0.6857 | Remote Similarity | NPC244166 |
0.6857 | Remote Similarity | NPC324762 |
0.6852 | Remote Similarity | NPC76976 |
0.6852 | Remote Similarity | NPC30195 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC39633 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 |
---|---|---|---|
0.9592 | High Similarity | NPD29 | Approved |
0.9592 | High Similarity | NPD28 | Approved |
0.9038 | High Similarity | NPD3194 | Approved |
0.9038 | High Similarity | NPD3196 | Approved |
0.9038 | High Similarity | NPD3195 | Phase 2 |
0.9038 | High Similarity | NPD4266 | Approved |
0.8846 | High Similarity | NPD3172 | Approved |
0.8571 | High Similarity | NPD3174 | Discontinued |
0.8235 | Intermediate Similarity | NPD5343 | Approved |
0.8077 | Intermediate Similarity | NPD3173 | Approved |
0.8 | Intermediate Similarity | NPD3197 | Phase 1 |
0.7885 | Intermediate Similarity | NPD622 | Approved |
0.7647 | Intermediate Similarity | NPD6097 | Approved |
0.7647 | Intermediate Similarity | NPD6096 | Approved |
0.75 | Intermediate Similarity | NPD4222 | Approved |
0.75 | Intermediate Similarity | NPD39 | Approved |
0.7213 | Intermediate Similarity | NPD4246 | Clinical (unspecified phase) |
0.7188 | Intermediate Similarity | NPD6108 | Clinical (unspecified phase) |
0.7143 | Intermediate Similarity | NPD3206 | Approved |
0.7115 | Intermediate Similarity | NPD5326 | Phase 3 |
0.7101 | Intermediate Similarity | NPD8039 | Approved |
0.6981 | Remote Similarity | NPD2699 | Approved |
0.6842 | Remote Similarity | NPD6927 | Phase 3 |
0.6731 | Remote Similarity | NPD2270 | Approved |
0.6613 | Remote Similarity | NPD6109 | Phase 1 |
0.6575 | Remote Similarity | NPD3732 | Approved |
0.6567 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.6533 | Remote Similarity | NPD5369 | Approved |
0.6447 | Remote Similarity | NPD6435 | Approved |
0.6438 | Remote Similarity | NPD4756 | Discovery |
0.6418 | Remote Similarity | NPD7331 | Phase 2 |
0.64 | Remote Similarity | NPD5368 | Approved |
0.6364 | Remote Similarity | NPD3199 | Clinical (unspecified phase) |
0.6364 | Remote Similarity | NPD7154 | Phase 3 |
0.6364 | Remote Similarity | NPD5362 | Discontinued |
0.6351 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.6346 | Remote Similarity | NPD633 | Phase 3 |
0.6346 | Remote Similarity | NPD9448 | Phase 2 |
0.6316 | Remote Similarity | NPD6125 | Clinical (unspecified phase) |
0.6234 | Remote Similarity | NPD4270 | Approved |
0.6234 | Remote Similarity | NPD4269 | Approved |
0.6212 | Remote Similarity | NPD2664 | Clinical (unspecified phase) |
0.6184 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6184 | Remote Similarity | NPD4252 | Approved |
0.6133 | Remote Similarity | NPD4271 | Approved |
0.6133 | Remote Similarity | NPD4268 | Approved |
0.6125 | Remote Similarity | NPD5786 | Approved |
0.6038 | Remote Similarity | NPD9655 | Approved |
0.6038 | Remote Similarity | NPD5783 | Phase 3 |
0.6029 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6026 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD5363 | Approved |
0.6 | Remote Similarity | NPD387 | Clinical (unspecified phase) |
0.5974 | Remote Similarity | NPD4819 | Approved |
0.5974 | Remote Similarity | NPD4821 | Approved |
0.5974 | Remote Similarity | NPD4820 | Approved |
0.5974 | Remote Similarity | NPD4822 | Approved |
0.5968 | Remote Similarity | NPD3728 | Approved |
0.5968 | Remote Similarity | NPD3730 | Approved |
0.5942 | Remote Similarity | NPD3704 | Approved |
0.5926 | Remote Similarity | NPD7521 | Approved |
0.5926 | Remote Similarity | NPD7146 | Approved |
0.5926 | Remote Similarity | NPD6409 | Approved |
0.5926 | Remote Similarity | NPD5330 | Approved |
0.5926 | Remote Similarity | NPD6422 | Discontinued |
0.5926 | Remote Similarity | NPD6684 | Approved |
0.5926 | Remote Similarity | NPD7334 | Approved |
0.5904 | Remote Similarity | NPD6101 | Approved |
0.5904 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.5882 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD5785 | Approved |
0.5797 | Remote Similarity | NPD7341 | Phase 2 |
0.5783 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.5783 | Remote Similarity | NPD6672 | Approved |
0.5783 | Remote Similarity | NPD5737 | Approved |
0.5783 | Remote Similarity | NPD6903 | Approved |
0.5765 | Remote Similarity | NPD7983 | Approved |
0.5765 | Remote Similarity | NPD6411 | Approved |
0.575 | Remote Similarity | NPD5331 | Approved |
0.575 | Remote Similarity | NPD5332 | Approved |
0.5732 | Remote Similarity | NPD6098 | Approved |
0.5714 | Remote Similarity | NPD3729 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD5370 | Suspended |
0.5698 | Remote Similarity | NPD5778 | Approved |
0.5698 | Remote Similarity | NPD5779 | Approved |
0.5696 | Remote Similarity | NPD4790 | Discontinued |
0.5692 | Remote Similarity | NPD8779 | Phase 3 |
0.569 | Remote Similarity | NPD634 | Phase 3 |
0.5667 | Remote Similarity | NPD4220 | Pre-registration |
0.5663 | Remote Similarity | NPD4250 | Approved |
0.5663 | Remote Similarity | NPD4251 | Approved |
0.5663 | Remote Similarity | NPD3573 | Approved |
0.5647 | Remote Similarity | NPD6698 | Approved |
0.5647 | Remote Similarity | NPD3673 | Approved |
0.5647 | Remote Similarity | NPD46 | Approved |
0.5647 | Remote Similarity | NPD3672 | Approved |
0.5645 | Remote Similarity | NPD3186 | Phase 1 |
0.5625 | Remote Similarity | NPD4627 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD5209 | Approved |
0.561 | Remote Similarity | NPD1694 | Approved |
0.561 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
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.