Molecular Weight:   | 358.14 |
Volume:   | 357.173 |
LogP:   | 2.192 |
LogD:   | 2.837 |
LogS:   | -4.05 |
# Rotatable Bonds:   | 4 |
TPSA:   | 77.38 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 2 |
# Rings:   | 4 |
# Heavy Atoms:   | 6 |
QED Drug-Likeness Score:   | 0.874 |
Synthetic Accessibility Score:   | 3.679 |
Fsp3:   | 0.4 |
Lipinski Rule-of-5:   | Accepted |
Pfizer Rule:   | Accepted |
GSK Rule:   | Accepted |
BMS Rule:   | 0 |
Golden Triangle Rule:   | Accepted |
Chelating Alert:   | 1 |
PAINS Alert:   | 0 |
Caco-2 Permeability:   | -4.794 |
MDCK Permeability:   | 2.230917743872851e-05 |
Pgp-inhibitor:   | 0.005 |
Pgp-substrate:   | 0.047 |
Human Intestinal Absorption (HIA):   | 0.008 |
20% Bioavailability (F20%):   | 0.01 |
30% Bioavailability (F30%):   | 0.066 |
Blood-Brain-Barrier Penetration (BBB):   | 0.101 |
Plasma Protein Binding (PPB):   | 94.7698745727539% |
Volume Distribution (VD):   | 1.052 |
Pgp-substrate:   | 4.548489093780518% |
CYP1A2-inhibitor:   | 0.042 |
CYP1A2-substrate:   | 0.92 |
CYP2C19-inhibitor:   | 0.142 |
CYP2C19-substrate:   | 0.732 |
CYP2C9-inhibitor:   | 0.427 |
CYP2C9-substrate:   | 0.818 |
CYP2D6-inhibitor:   | 0.359 |
CYP2D6-substrate:   | 0.898 |
CYP3A4-inhibitor:   | 0.445 |
CYP3A4-substrate:   | 0.513 |
Clearance (CL):   | 7.898 |
Half-life (T1/2):   | 0.435 |
hERG Blockers:   | 0.085 |
Human Hepatotoxicity (H-HT):   | 0.164 |
Drug-inuced Liver Injury (DILI):   | 0.146 |
AMES Toxicity:   | 0.296 |
Rat Oral Acute Toxicity:   | 0.297 |
Maximum Recommended Daily Dose:   | 0.491 |
Skin Sensitization:   | 0.682 |
Carcinogencity:   | 0.36 |
Eye Corrosion:   | 0.003 |
Eye Irritation:   | 0.735 |
Respiratory Toxicity:   | 0.403 |
Natural Product ID:   | NPC158079 |
Common Name*:   | (+/-)-Pinoresinol |
IUPAC Name:   | 4-[6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol |
Synonyms:   | |
Standard InCHIKey:   | HGXBRUKMWQGOIE-UHFFFAOYSA-N |
Standard InCHI:   | InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3 |
SMILES:   | COc1cc(ccc1O)C1OCC2C1COC2c1ccc(c(c1)OC)O |
Synthetic Gene Cluster:   | n.a. |
ChEMBL Identifier:   | CHEMBL2252392 |
PubChem CID:   |
234817 |
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 |
---|---|---|---|---|---|---|---|---|
NPO454 | Helianthus annuus | Species | Asteraceae | Eukaryota | n.a. | small food enterprises (Zvijezda d.d., Zagreb, Croatia) | n.a. | DOI[10.1002/EJLT.200900231] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | Seeds | n.a. | DOI[10.1002/ejlt.201100207] | |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | n.a. | fruit | n.a. | DOI[10.1007/s00217-007-0799-1] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1007/s11746-997-0093-1] |
NPO454 | Helianthus annuus | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1007/s11746-997-0093-1] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1007/s11746-997-0093-1] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | Wrocław, Poland | 2004–2005 | DOI[10.1016/J.FOODCHEM.2006.08.014] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | n.a. | flower | n.a. | DOI[10.1016/j.foodchem.2011.01.077] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1016/j.jfca.2004.07.004] |
NPO31303 | Solanum lycopersicum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1016/j.jfca.2005.08.001] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1016/j.jfca.2005.08.001] |
NPO31303 | Solanum lycopersicum | Species | Solanaceae | Eukaryota | n.a. | retail stores, supermarkets and market stalls in Forssa and in the Helsinki area | 2003–2005 | DOI[10.1016/j.jfca.2006.05.007] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | retail stores, supermarkets and market stalls in Forssa and in the Helsinki area | 2003–2005 | DOI[10.1016/j.jfca.2006.05.007] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1021/jf950732o] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | root | n.a. | DOI[10.1271/bbb1961.42.623] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | Seeds | n.a. | DOI[10.5219/332] | |
NPO31303 | Solanum lycopersicum | Species | Solanaceae | Eukaryota | n.a. | n.a. | 1996-Sep |
PMID[10352947] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[10775096] |
NPO26343 | Fagopyrum esculentum | Species | Polygonaceae | Eukaryota | n.a. | seed | n.a. |
PMID[10898633] |
NPO8589 | Triticum aestivum | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[10993146] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | rhizomes | n.a. | n.a. |
PMID[11000020] |
NPO7925 | Asparagus officinalis | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[11032480] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[11520216] |
NPO24778 | Sesamum orientale | Species | Pedaliaceae | Eukaryota | n.a. | seed | n.a. |
PMID[11540412] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[12379786] |
NPO8589 | Triticum aestivum | Species | Poaceae | Eukaryota | n.a. | Tsukuba, Japan | 1998-JUN |
PMID[12381108] |
NPO28608 | Olea europaea | Species | Oleaceae | Eukaryota | n.a. | fruit | n.a. |
PMID[12802735] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | tuber | n.a. |
PMID[12913245] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[1293938] |
NPO31303 | Solanum lycopersicum | Species | Solanaceae | Eukaryota | n.a. | Himeji City, Japan | n.a. |
PMID[15053555] |
NPO19805 | Forsythia viridissima | Species | Oleaceae | Eukaryota | n.a. | flower | n.a. |
PMID[15481244] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | Seeds | n.a. | n.a. |
PMID[15620261] |
NPO31303 | Solanum lycopersicum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[15877880] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[16181762] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | root | n.a. |
PMID[1622242] |
NPO17434 | Sambucus williamsii | Species | Adoxaceae | Eukaryota | n.a. | stem | n.a. |
PMID[16651764] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[16659156] |
NPO454 | Helianthus annuus | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[16660462] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[16668466] |
NPO2211 | Solanum nigrum | Species | Solanaceae | Eukaryota | Whole plant | n.a. | steroidal saponins |
PMID[16933867] |
NPO21387 | Forsythia suspensa | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[17156960] |
NPO454 | Helianthus annuus | Species | Asteraceae | Eukaryota | flower petals | n.a. | n.a. |
PMID[17480100] |
NPO31303 | Solanum lycopersicum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[17764147] |
NPO7490 | Aconitum japonicum | Species | Ranunculaceae | Eukaryota | roots | n.a. | n.a. |
PMID[18044843] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18270436] |
NPO28608 | Olea europaea | Species | Oleaceae | Eukaryota | n.a. | fruit | n.a. |
PMID[18384095] |
NPO31303 | Solanum lycopersicum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18460139] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18460139] |
NPO31303 | Solanum lycopersicum | Species | Solanaceae | Eukaryota | n.a. | Northeastern Regional Plant Introduction Station at Geneva | 1966, 1967, and 1968 crop seasons |
PMID[18460139] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18460139] |
NPO17039 | Pharbitis nil | Species | Convolvulaceae | Eukaryota | Seeds | n.a. | n.a. |
PMID[19435339] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[20963508] |
NPO659 | Secale cereale | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[21381697] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | n.a. | rhizome | n.a. |
PMID[21401114] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | flower | n.a. |
PMID[21916433] |
NPO28608 | Olea europaea | Species | Oleaceae | Eukaryota | n.a. | fruit | n.a. |
PMID[22014120] |
NPO28608 | Olea europaea | Species | Oleaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[22014120] |
NPO28608 | Olea europaea | Species | Oleaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[22014168] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | root | n.a. |
PMID[22223386] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[22537213] |
NPO454 | Helianthus annuus | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[22537213] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[22537213] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | Lateral roots | n.a. | n.a. |
PMID[22607495] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | root | n.a. |
PMID[22628040] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | root | n.a. |
PMID[22907155] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | root | n.a. |
PMID[23225552] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23507362] |
NPO28608 | Olea europaea | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23540838] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | flower buds | n.a. | n.a. |
PMID[23558238] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23707213] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | root | n.a. |
PMID[23707213] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23793896] |
NPO7539 | Raphanus sativus | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[24176362] |
NPO7490 | Aconitum japonicum | Species | Ranunculaceae | Eukaryota | n.a. | root | n.a. |
PMID[24190290] |
NPO7490 | Aconitum japonicum | Species | Ranunculaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[24190290] |
NPO8589 | Triticum aestivum | Species | Poaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[24197199] |
NPO8589 | Triticum aestivum | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[24254087] |
NPO28608 | Olea europaea | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[24295708] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[24417583] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | Seeds | Tekirdag, Turkey |
PMID[24499198] |
|
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[24793215] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | n.a. | seed | n.a. |
PMID[24967651] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25053043] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25070365] |
NPO28608 | Olea europaea | Species | Oleaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[25102361] |
NPO28608 | Olea europaea | Species | Oleaceae | Eukaryota | n.a. | fruit | n.a. |
PMID[25306330] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | seed | n.a. |
PMID[25369450] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25369450] |
NPO7539 | Raphanus sativus | Species | Brassicaceae | Eukaryota | seeds | n.a. | n.a. |
PMID[25466198] |
NPO21387 | Forsythia suspensa | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[26422318] |
NPO16850 | Eucommia ulmoides | Species | Eucommiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[26767291] |
NPO16850 | Eucommia ulmoides | Species | Eucommiaceae | Eukaryota | n.a. | bark | n.a. |
PMID[26767291] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | Seeds | n.a. | n.a. |
PMID[26923696] |
NPO17434 | Sambucus williamsii | Species | Adoxaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[26988298] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[27228307] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | root | n.a. |
PMID[27761113] |
NPO21387 | Forsythia suspensa | Species | Oleaceae | Eukaryota | Fruits | n.a. | n.a. |
PMID[28218000] |
NPO31303 | Solanum lycopersicum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[2831703] |
NPO19805 | Forsythia viridissima | Species | Oleaceae | Eukaryota | Roots | n.a. | n.a. |
PMID[30676026] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | Roots | n.a. | n.a. |
PMID[30892884] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | Roots | n.a. | n.a. |
PMID[31150241] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | Roots | n.a. | n.a. |
PMID[31742403] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[31860304] |
NPO8589 | Triticum aestivum | Species | Poaceae | Eukaryota | n.a. | n.a. |
PMID[31861466] |
|
NPO4554 | Isatis tinctoria | Species | Brassicaceae | Eukaryota | Roots | n.a. | n.a. |
PMID[32004936] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[32223193] |
NPO454 | Helianthus annuus | Species | Asteraceae | Eukaryota | Flowers | n.a. | n.a. |
PMID[6361218] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[6705789] |
NPO7925 | Asparagus officinalis | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[6821187] |
NPO659 | Secale cereale | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[9134744] |
NPO31303 | Solanum lycopersicum | Species | Solanaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | Root | n.a. | n.a. | Database[FooDB] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | Stem Bark | n.a. | n.a. | Database[FooDB] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | Bark | n.a. | n.a. | Database[FooDB] |
NPO28608 | Olea europaea | Species | Oleaceae | Eukaryota | Oil | n.a. | n.a. | Database[FooDB] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO7539 | Raphanus sativus | Species | Brassicaceae | Eukaryota | Root | n.a. | n.a. | Database[FooDB] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | Testa | n.a. | n.a. | Database[FooDB] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | Cotyledon | n.a. | n.a. | Database[FooDB] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | Oil | n.a. | n.a. | Database[FooDB] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO454 | Helianthus annuus | Species | Asteraceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO659 | Secale cereale | Species | Poaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | Hay | n.a. | n.a. | Database[FooDB] |
NPO31303 | Solanum lycopersicum | Species | Solanaceae | Eukaryota | Root | n.a. | n.a. | Database[FooDB] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | Twig | n.a. | n.a. | Database[FooDB] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | Cotyledon | n.a. | n.a. | Database[FooDB] |
NPO454 | Helianthus annuus | Species | Asteraceae | Eukaryota | Pericarp | n.a. | n.a. | Database[FooDB] |
NPO7925 | Asparagus officinalis | Species | Asparagaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | Seed Oil | n.a. | n.a. | Database[FooDB] |
NPO24778 | Sesamum orientale | Species | Pedaliaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | Hull Husk | n.a. | n.a. | Database[FooDB] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | Root Bark | n.a. | n.a. | Database[FooDB] |
NPO8589 | Triticum aestivum | Species | Poaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO26343 | Fagopyrum esculentum | Species | Polygonaceae | Eukaryota | Flower | n.a. | n.a. | Database[FooDB] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | Pericarp | n.a. | n.a. | Database[FooDB] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | Seed Oil | n.a. | n.a. | Database[FooDB] |
NPO31303 | Solanum lycopersicum | Species | Solanaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | Hypocotyl | n.a. | n.a. | Database[FooDB] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO454 | Helianthus annuus | Species | Asteraceae | Eukaryota | Flower | n.a. | n.a. | Database[FooDB] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | Pericarp | n.a. | n.a. | Database[FooDB] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | Shoot | n.a. | n.a. | Database[FooDB] |
NPO28608 | Olea europaea | Species | Oleaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO15670 | Ananas comosus | Species | Bromeliaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO26343 | Fagopyrum esculentum | Species | Polygonaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO454 | Helianthus annuus | Species | Asteraceae | Eukaryota | Flower Essent. Oil | n.a. | n.a. | Database[FooDB] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | Plant | n.a. | n.a. | Database[FooDB] |
NPO454 | Helianthus annuus | Species | Asteraceae | Eukaryota | Shoot | n.a. | n.a. | Database[FooDB] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO26343 | Fagopyrum esculentum | Species | Polygonaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO454 | Helianthus annuus | Species | Asteraceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO26343 | Fagopyrum esculentum | Species | Polygonaceae | Eukaryota | Plant | n.a. | n.a. | Database[FooDB] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | Plant | n.a. | n.a. | Database[FooDB] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | Shoot | n.a. | n.a. | Database[FooDB] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO454 | Helianthus annuus | Species | Asteraceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO28608 | Olea europaea | Species | Oleaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO8589 | Triticum aestivum | Species | Poaceae | Eukaryota | Plant | n.a. | n.a. | Database[FooDB] |
NPO8589 | Triticum aestivum | Species | Poaceae | Eukaryota | Shoot | n.a. | n.a. | Database[FooDB] |
NPO29338 | Actinidia chinensis | Species | Actinidiaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO24778 | Sesamum orientale | Species | Pedaliaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO29338 | Actinidia chinensis | Species | Actinidiaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO15670 | Ananas comosus | Species | Bromeliaceae | Eukaryota | Plant | n.a. | n.a. | Database[FooDB] |
NPO7925 | Asparagus officinalis | Species | Asparagaceae | Eukaryota | Shoot | n.a. | n.a. | Database[FooDB] |
NPO15670 | Ananas comosus | Species | Bromeliaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO24778 | Sesamum orientale | Species | Pedaliaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO15670 | Ananas comosus | Species | Bromeliaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | Plant | n.a. | n.a. | Database[FooDB] |
NPO31303 | Solanum lycopersicum | Species | Solanaceae | Eukaryota | Shoot | n.a. | n.a. | Database[FooDB] |
NPO7925 | Asparagus officinalis | Species | Asparagaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO26343 | Fagopyrum esculentum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO659 | Secale cereale | Species | Poaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO454 | Helianthus annuus | Species | Asteraceae | Eukaryota | Pollen Or Spore | n.a. | n.a. | Database[FooDB] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | Sprout Seedling | n.a. | n.a. | Database[FooDB] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO7539 | Raphanus sativus | Species | Brassicaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO29338 | Actinidia chinensis | Species | Actinidiaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO24778 | Sesamum orientale | Species | Pedaliaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | Root | n.a. | n.a. | Database[FooDB] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | Sprout Seedling | n.a. | n.a. | Database[FooDB] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO31303 | Solanum lycopersicum | Species | Solanaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO31303 | Solanum lycopersicum | Species | Solanaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO8589 | Triticum aestivum | Species | Poaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO454 | Helianthus annuus | Species | Asteraceae | Eukaryota | Root | n.a. | n.a. | Database[FooDB] |
NPO26343 | Fagopyrum esculentum | Species | Polygonaceae | Eukaryota | Stem | n.a. | n.a. | Database[FooDB] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO454 | Helianthus annuus | Species | Asteraceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO7925 | Asparagus officinalis | Species | Asparagaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | Root | n.a. | n.a. | Database[FooDB] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | Stem | n.a. | n.a. | Database[FooDB] |
NPO7539 | Raphanus sativus | Species | Brassicaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO454 | Helianthus annuus | Species | Asteraceae | Eukaryota | Oil | n.a. | n.a. | Database[FooDB] |
NPO659 | Secale cereale | Species | Poaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO7539 | Raphanus sativus | Species | Brassicaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO8589 | Triticum aestivum | Species | Poaceae | Eukaryota | Root | n.a. | n.a. | Database[FooDB] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | Stem | n.a. | n.a. | Database[FooDB] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO8589 | Triticum aestivum | Species | Poaceae | Eukaryota | Oil | n.a. | n.a. | Database[FooDB] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO26343 | Fagopyrum esculentum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO29338 | Actinidia chinensis | Species | Actinidiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7490 | Aconitum japonicum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO4554 | Isatis tinctoria | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO8589 | Triticum aestivum | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO15670 | Ananas comosus | Species | Bromeliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO5649 | Coptis chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO2211 | Solanum nigrum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO16850 | Eucommia ulmoides | Species | Eucommiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO31303 | Solanum lycopersicum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO21387 | Forsythia suspensa | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22622 | Coptis deltoidea | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7539 | Raphanus sativus | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO14108 | Nardostachys jatamansi | Species | Caprifoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7925 | Asparagus officinalis | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO24778 | Sesamum orientale | Species | Pedaliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO26343 | Fagopyrum esculentum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO19805 | Forsythia viridissima | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO454 | Helianthus annuus | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO17434 | Sambucus williamsii | Species | Adoxaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO28608 | Olea europaea | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[MetaboLights] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | seed | n.a. | Database[MetaboLights] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | Seeds | n.a. | Database[Phenol-Explorer] | |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO7925 | Asparagus officinalis | Species | Asparagaceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO8589 | Triticum aestivum | Species | Poaceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO15670 | Ananas comosus | Species | Bromeliaceae | Eukaryota | Fruits | n.a. | Database[Phenol-Explorer] | |
NPO15670 | Ananas comosus | Species | Bromeliaceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | Fruits | n.a. | Database[Phenol-Explorer] | |
NPO31303 | Solanum lycopersicum | Species | Solanaceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO659 | Secale cereale | Species | Poaceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO7539 | Raphanus sativus | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO5649 | Coptis chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO2211 | Solanum nigrum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO26343 | Fagopyrum esculentum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO4554 | Isatis tinctoria | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO21387 | Forsythia suspensa | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO454 | Helianthus annuus | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17039 | Pharbitis nil | Species | Convolvulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO15670 | Ananas comosus | Species | Bromeliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO14108 | Nardostachys jatamansi | Species | Caprifoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO16850 | Eucommia ulmoides | Species | Eucommiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17434 | Sambucus williamsii | Species | Adoxaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7490 | Aconitum japonicum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22622 | Coptis deltoidea | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO28608 | Olea europaea | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO19805 | Forsythia viridissima | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO8589 | Triticum aestivum | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO24778 | Sesamum orientale | Species | Pedaliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO12128 | Ipomoea purpurea | Species | Convolvulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7925 | Asparagus officinalis | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO9069 | Persicaria tinctoria | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO29338 | Actinidia chinensis | Species | Actinidiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO5649 | Coptis chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO24778 | Sesamum orientale | Species | Pedaliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO454 | Helianthus annuus | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO14108 | Nardostachys jatamansi | Species | Caprifoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO31303 | Solanum lycopersicum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO29338 | Actinidia chinensis | Species | Actinidiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO7539 | Raphanus sativus | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO8589 | Triticum aestivum | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO16850 | Eucommia ulmoides | Species | Eucommiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO26343 | Fagopyrum esculentum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO7925 | Asparagus officinalis | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO28608 | Olea europaea | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO2211 | Solanum nigrum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO15670 | Ananas comosus | Species | Bromeliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO24778 | Sesamum orientale | Species | Pedaliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO4902 | Aconitum carmichaelii | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO5649 | Coptis chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO17039 | Pharbitis nil | Species | Convolvulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO16850 | Eucommia ulmoides | Species | Eucommiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO12128 | Ipomoea purpurea | Species | Convolvulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO22622 | Coptis deltoidea | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO29008 | Coptis teeta | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO19805 | Forsythia viridissima | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO22589 | Clematis armandii | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO21387 | Forsythia suspensa | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO14108 | Nardostachys jatamansi | Species | Caprifoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO7490 | Aconitum japonicum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO2211 | Solanum nigrum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO23035 | Clematis montana | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO22132 | Hordeum vulgare | Species | Poaceae | 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] |
NPO4554 | Isatis tinctoria | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO7539 | Raphanus sativus | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO9069 | Persicaria tinctoria | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO17434 | Sambucus williamsii | Species | Adoxaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO22622 | Coptis deltoidea | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17039 | Pharbitis nil | Species | Convolvulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9069 | Persicaria tinctoria | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4554 | Isatis tinctoria | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7539 | Raphanus sativus | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24778 | Sesamum orientale | Species | Pedaliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO454 | Helianthus annuus | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7925 | Asparagus officinalis | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO29338 | Actinidia chinensis | Species | Actinidiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25114 | Linum usitatissimum | Species | Linaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17434 | Sambucus williamsii | Species | Adoxaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21387 | Forsythia suspensa | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO659 | Secale cereale | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16850 | Eucommia ulmoides | Species | Eucommiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7490 | Aconitum japonicum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28608 | Olea europaea | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14108 | Nardostachys jatamansi | Species | Caprifoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21349 | Punica granatum | Species | Lythraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5649 | Coptis chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2211 | Solanum nigrum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12128 | Ipomoea purpurea | Species | Convolvulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15670 | Ananas comosus | Species | Bromeliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8589 | Triticum aestivum | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO29008 | Coptis teeta | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7635 | Glycine max | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26343 | Fagopyrum esculentum | Species | Polygonaceae | 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 |
---|---|---|---|---|---|---|---|---|
NPO7635 | NPC158079 | Cooked | n.a. | 0.0217 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO16509 | NPC158079 | Dried Or Powder | n.a. | 0.194000006 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO26343 | NPC158079 | Dried Or Powder | n.a. | 0.092 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO8589 | NPC158079 | Dried Or Powder | n.a. | 0.0375 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO8589 | NPC158079 | Dried Or Powder | n.a. | 0.009 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO22132 | NPC158079 | Dried Or Powder | n.a. | 0.071999997 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO659 | NPC158079 | Dried Or Powder | n.a. | 0.381000012 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO24778 | NPC158079 | Dried Or Powder | n.a. | 33.78224945 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO28608 | NPC158079 | Oil | n.a. | 2.374757325 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO28608 | NPC158079 | Oil | n.a. | 2.410234898 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO28608 | NPC158079 | Oil | n.a. | 0.42385363 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO28608 | NPC158079 | Oil | n.a. | 0.101000001 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO28608 | NPC158079 | Oil | n.a. | 0.242999991 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO25114 | NPC158079 | Other | n.a. | 8.643000126 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO454 | NPC158079 | Other | n.a. | 0.166999996 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO28608 | NPC158079 | Raw | n.a. | 0.037 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO7732 | NPC158079 | Raw | n.a. | 0.028000001 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO28608 | NPC158079 | Raw | n.a. | 0.013 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO15670 | NPC158079 | Raw | n.a. | 0.004 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO29338 | NPC158079 | Raw | n.a. | 0.008 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO7539 | NPC158079 | Raw | n.a. | 0.002 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO31303 | NPC158079 | Raw | n.a. | 0.005 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO7925 | NPC158079 | Raw | n.a. | 0.048999999 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO7530 | NPC158079 | Raw | n.a. | 0.001 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO7635 | NPC158079 | Raw | n.a. | 0.0005 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
☑ 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 |
---|---|---|---|---|---|---|---|---|
NPT3517 | Individual Protein | Nitric oxide synthase, inducible | Homo sapiens | Inhibition | = | 49.13 | % | PMID[502119] |
NPT2778 | Organism | Fusarium incarnatum | Fusarium incarnatum | MIC | = | 1000.0 | ug.mL-1 | PMID[502117] |
NPT2781 | Organism | Fusarium moniliforme | Gibberella moniliformis | IC50 | = | 760.0 | ug.mL-1 | PMID[502117] |
NPT2781 | Organism | Fusarium moniliforme | Gibberella moniliformis | IC50 | = | 760.0 | ug.mL-1 | PMID[502118] |
NPT2781 | Organism | Fusarium moniliforme | Gibberella moniliformis | GI | = | 40.0 | % | PMID[502118] |
NPT2781 | Organism | Fusarium moniliforme | Gibberella moniliformis | GI | = | 20.0 | % | PMID[502118] |
NPT2781 | Organism | Fusarium moniliforme | Gibberella moniliformis | MIC | = | 1000.0 | ug.mL-1 | PMID[502118] |
☑ 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 NPC158079 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 | NPC27843 |
1.0 | High Similarity | NPC40432 |
1.0 | High Similarity | NPC115207 |
1.0 | High Similarity | NPC228346 |
1.0 | High Similarity | NPC161557 |
1.0 | High Similarity | NPC7171 |
0.992 | High Similarity | NPC181049 |
0.992 | High Similarity | NPC207400 |
0.9762 | High Similarity | NPC4940 |
0.976 | High Similarity | NPC241522 |
0.976 | High Similarity | NPC42300 |
0.976 | High Similarity | NPC257582 |
0.976 | High Similarity | NPC153739 |
0.976 | High Similarity | NPC242807 |
0.976 | High Similarity | NPC77040 |
0.976 | High Similarity | NPC145305 |
0.976 | High Similarity | NPC174495 |
0.976 | High Similarity | NPC64201 |
0.976 | High Similarity | NPC187998 |
0.976 | High Similarity | NPC92164 |
0.9758 | High Similarity | NPC11258 |
0.9758 | High Similarity | NPC184733 |
0.9758 | High Similarity | NPC128208 |
0.9758 | High Similarity | NPC129570 |
0.9758 | High Similarity | NPC282703 |
0.9758 | High Similarity | NPC45774 |
0.9758 | High Similarity | NPC21867 |
0.9688 | High Similarity | NPC99572 |
0.9688 | High Similarity | NPC126409 |
0.9683 | High Similarity | NPC277804 |
0.968 | High Similarity | NPC475875 |
0.96 | High Similarity | NPC470084 |
0.9535 | High Similarity | NPC142547 |
0.9535 | High Similarity | NPC141765 |
0.9535 | High Similarity | NPC135777 |
0.9535 | High Similarity | NPC165155 |
0.9535 | High Similarity | NPC24490 |
0.9535 | High Similarity | NPC34103 |
0.9531 | High Similarity | NPC158331 |
0.952 | High Similarity | NPC165045 |
0.952 | High Similarity | NPC118533 |
0.9466 | High Similarity | NPC123526 |
0.9466 | High Similarity | NPC88640 |
0.9466 | High Similarity | NPC193666 |
0.9457 | High Similarity | NPC67247 |
0.9457 | High Similarity | NPC287745 |
0.9453 | High Similarity | NPC175067 |
0.9453 | High Similarity | NPC204215 |
0.944 | High Similarity | NPC206882 |
0.9435 | High Similarity | NPC257682 |
0.9435 | High Similarity | NPC121783 |
0.9435 | High Similarity | NPC34902 |
0.9435 | High Similarity | NPC131747 |
0.9435 | High Similarity | NPC18449 |
0.9435 | High Similarity | NPC146355 |
0.9365 | High Similarity | NPC5428 |
0.936 | High Similarity | NPC148627 |
0.9355 | High Similarity | NPC31344 |
0.9355 | High Similarity | NPC317769 |
0.9313 | High Similarity | NPC54743 |
0.9313 | High Similarity | NPC156502 |
0.9313 | High Similarity | NPC471988 |
0.9313 | High Similarity | NPC177160 |
0.9313 | High Similarity | NPC10737 |
0.9313 | High Similarity | NPC209985 |
0.9313 | High Similarity | NPC263367 |
0.9313 | High Similarity | NPC477939 |
0.9313 | High Similarity | NPC29799 |
0.9308 | High Similarity | NPC49603 |
0.9308 | High Similarity | NPC326095 |
0.9308 | High Similarity | NPC471942 |
0.9308 | High Similarity | NPC193026 |
0.9308 | High Similarity | NPC187616 |
0.9308 | High Similarity | NPC244983 |
0.9302 | High Similarity | NPC471505 |
0.9291 | High Similarity | NPC252307 |
0.9291 | High Similarity | NPC245826 |
0.9291 | High Similarity | NPC474178 |
0.9248 | High Similarity | NPC177868 |
0.9248 | High Similarity | NPC55793 |
0.9242 | High Similarity | NPC281780 |
0.9237 | High Similarity | NPC184938 |
0.9237 | High Similarity | NPC101624 |
0.9225 | High Similarity | NPC474017 |
0.9213 | High Similarity | NPC292056 |
0.9213 | High Similarity | NPC118787 |
0.9213 | High Similarity | NPC147821 |
0.9213 | High Similarity | NPC111247 |
0.9213 | High Similarity | NPC163332 |
0.9213 | High Similarity | NPC183181 |
0.9213 | High Similarity | NPC41706 |
0.9213 | High Similarity | NPC319625 |
0.92 | High Similarity | NPC471693 |
0.92 | High Similarity | NPC280704 |
0.92 | High Similarity | NPC473451 |
0.9194 | High Similarity | NPC126935 |
0.9194 | High Similarity | NPC57268 |
0.9194 | High Similarity | NPC312713 |
0.9194 | High Similarity | NPC172676 |
0.9194 | High Similarity | NPC65933 |
0.9194 | High Similarity | NPC216929 |
0.9185 | High Similarity | NPC477898 |
0.9185 | High Similarity | NPC298317 |
0.9185 | High Similarity | NPC255566 |
0.9185 | High Similarity | NPC265154 |
0.9167 | High Similarity | NPC77861 |
0.9154 | High Similarity | NPC259742 |
0.9154 | High Similarity | NPC219671 |
0.9154 | High Similarity | NPC147616 |
0.9154 | High Similarity | NPC106739 |
0.9154 | High Similarity | NPC104077 |
0.9141 | High Similarity | NPC222127 |
0.9141 | High Similarity | NPC82862 |
0.9134 | High Similarity | NPC58607 |
0.9134 | High Similarity | NPC178284 |
0.9134 | High Similarity | NPC191037 |
0.912 | High Similarity | NPC85488 |
0.9118 | High Similarity | NPC470097 |
0.9118 | High Similarity | NPC84181 |
0.9118 | High Similarity | NPC114119 |
0.9118 | High Similarity | NPC471415 |
0.9104 | High Similarity | NPC160283 |
0.9104 | High Similarity | NPC254759 |
0.9104 | High Similarity | NPC184797 |
0.9104 | High Similarity | NPC309124 |
0.9091 | High Similarity | NPC18576 |
0.9084 | High Similarity | NPC26394 |
0.9084 | High Similarity | NPC169973 |
0.907 | High Similarity | NPC170844 |
0.907 | High Similarity | NPC476968 |
0.907 | High Similarity | NPC5851 |
0.907 | High Similarity | NPC86030 |
0.9062 | High Similarity | NPC8050 |
0.9062 | High Similarity | NPC473093 |
0.9062 | High Similarity | NPC473092 |
0.9062 | High Similarity | NPC127587 |
0.9055 | High Similarity | NPC194519 |
0.9051 | High Similarity | NPC279298 |
0.9051 | High Similarity | NPC223185 |
0.9051 | High Similarity | NPC22150 |
0.9051 | High Similarity | NPC38041 |
0.9044 | High Similarity | NPC12728 |
0.9044 | High Similarity | NPC185071 |
0.904 | High Similarity | NPC262156 |
0.904 | High Similarity | NPC470804 |
0.904 | High Similarity | NPC184651 |
0.904 | High Similarity | NPC324571 |
0.904 | High Similarity | NPC343720 |
0.904 | High Similarity | NPC54872 |
0.904 | High Similarity | NPC470212 |
0.904 | High Similarity | NPC473853 |
0.904 | High Similarity | NPC476343 |
0.904 | High Similarity | NPC312675 |
0.904 | High Similarity | NPC113865 |
0.9037 | High Similarity | NPC87725 |
0.9037 | High Similarity | NPC472711 |
0.9037 | High Similarity | NPC471414 |
0.9037 | High Similarity | NPC263261 |
0.9032 | High Similarity | NPC95614 |
0.9032 | High Similarity | NPC227217 |
0.9032 | High Similarity | NPC56214 |
0.9032 | High Similarity | NPC232316 |
0.9032 | High Similarity | NPC242885 |
0.9032 | High Similarity | NPC165133 |
0.9032 | High Similarity | NPC117780 |
0.903 | High Similarity | NPC236306 |
0.903 | High Similarity | NPC292882 |
0.903 | High Similarity | NPC473739 |
0.903 | High Similarity | NPC232164 |
0.9015 | High Similarity | NPC47181 |
0.9015 | High Similarity | NPC478085 |
0.9008 | High Similarity | NPC253105 |
0.9008 | High Similarity | NPC201587 |
0.9008 | High Similarity | NPC230219 |
0.9 | High Similarity | NPC275950 |
0.9 | High Similarity | NPC173308 |
0.9 | High Similarity | NPC143483 |
0.9 | High Similarity | NPC181079 |
0.8992 | High Similarity | NPC165128 |
0.8992 | High Similarity | NPC186843 |
0.8992 | High Similarity | NPC54321 |
0.8992 | High Similarity | NPC98631 |
0.8992 | High Similarity | NPC57119 |
0.8992 | High Similarity | NPC328682 |
0.8992 | High Similarity | NPC158471 |
0.8992 | High Similarity | NPC470213 |
0.8992 | High Similarity | NPC226862 |
0.8992 | High Similarity | NPC206615 |
0.8992 | High Similarity | NPC72529 |
0.8992 | High Similarity | NPC281864 |
0.8986 | High Similarity | NPC317053 |
0.8986 | High Similarity | NPC112861 |
0.8986 | High Similarity | NPC324492 |
0.8984 | High Similarity | NPC50683 |
0.8984 | High Similarity | NPC112571 |
0.8984 | High Similarity | NPC76451 |
0.8984 | High Similarity | NPC285725 |
0.8976 | High Similarity | NPC293701 |
0.8976 | High Similarity | NPC94276 |
0.8976 | High Similarity | NPC48990 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC158079 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 |
---|---|---|---|
0.907 | High Similarity | NPD3027 | Phase 3 |
0.8468 | Intermediate Similarity | NPD5283 | Phase 1 |
0.8444 | Intermediate Similarity | NPD1613 | Approved |
0.8444 | Intermediate Similarity | NPD1612 | Clinical (unspecified phase) |
0.8306 | Intermediate Similarity | NPD228 | Approved |
0.8284 | Intermediate Similarity | NPD1529 | Clinical (unspecified phase) |
0.8209 | Intermediate Similarity | NPD1530 | Clinical (unspecified phase) |
0.8209 | Intermediate Similarity | NPD2861 | Phase 2 |
0.8175 | Intermediate Similarity | NPD3620 | Phase 2 |
0.8175 | Intermediate Similarity | NPD3619 | Clinical (unspecified phase) |
0.8168 | Intermediate Similarity | NPD3705 | Approved |
0.8146 | Intermediate Similarity | NPD6234 | Discontinued |
0.8145 | Intermediate Similarity | NPD3021 | Approved |
0.8145 | Intermediate Similarity | NPD3022 | Approved |
0.8045 | Intermediate Similarity | NPD4379 | Clinical (unspecified phase) |
0.7895 | Intermediate Similarity | NPD4966 | Approved |
0.7895 | Intermediate Similarity | NPD4967 | Phase 2 |
0.7895 | Intermediate Similarity | NPD4965 | Approved |
0.7883 | Intermediate Similarity | NPD4908 | Phase 1 |
0.7803 | Intermediate Similarity | NPD1357 | Approved |
0.7786 | Intermediate Similarity | NPD1558 | Phase 1 |
0.7786 | Intermediate Similarity | NPD4060 | Phase 1 |
0.7785 | Intermediate Similarity | NPD7228 | Approved |
0.7778 | Intermediate Similarity | NPD2982 | Phase 2 |
0.7778 | Intermediate Similarity | NPD2983 | Phase 2 |
0.777 | Intermediate Similarity | NPD4907 | Clinical (unspecified phase) |
0.7761 | Intermediate Similarity | NPD1610 | Phase 2 |
0.7755 | Intermediate Similarity | NPD6143 | Clinical (unspecified phase) |
0.7724 | Intermediate Similarity | NPD4236 | Phase 3 |
0.7724 | Intermediate Similarity | NPD4237 | Approved |
0.7708 | Intermediate Similarity | NPD7266 | Discontinued |
0.7704 | Intermediate Similarity | NPD2981 | Phase 2 |
0.7697 | Intermediate Similarity | NPD1934 | Approved |
0.7697 | Intermediate Similarity | NPD37 | Approved |
0.7681 | Intermediate Similarity | NPD3018 | Phase 2 |
0.7647 | Intermediate Similarity | NPD3600 | Clinical (unspecified phase) |
0.7638 | Intermediate Similarity | NPD2684 | Approved |
0.7634 | Intermediate Similarity | NPD7157 | Approved |
0.7606 | Intermediate Similarity | NPD5735 | Approved |
0.7603 | Intermediate Similarity | NPD6674 | Discontinued |
0.7603 | Intermediate Similarity | NPD3060 | Approved |
0.7603 | Intermediate Similarity | NPD5698 | Clinical (unspecified phase) |
0.7586 | Intermediate Similarity | NPD2029 | Clinical (unspecified phase) |
0.7569 | Intermediate Similarity | NPD5588 | Approved |
0.7551 | Intermediate Similarity | NPD4109 | Clinical (unspecified phase) |
0.7551 | Intermediate Similarity | NPD6331 | Phase 2 |
0.7551 | Intermediate Similarity | NPD4110 | Phase 3 |
0.7548 | Intermediate Similarity | NPD3882 | Suspended |
0.7538 | Intermediate Similarity | NPD7843 | Approved |
0.7532 | Intermediate Similarity | NPD2977 | Approved |
0.7532 | Intermediate Similarity | NPD2978 | Approved |
0.7532 | Intermediate Similarity | NPD2393 | Clinical (unspecified phase) |
0.7519 | Intermediate Similarity | NPD5536 | Phase 2 |
0.7517 | Intermediate Similarity | NPD2161 | Phase 2 |
0.75 | Intermediate Similarity | NPD4538 | Approved |
0.75 | Intermediate Similarity | NPD5307 | Clinical (unspecified phase) |
0.75 | Intermediate Similarity | NPD4536 | Approved |
0.75 | Intermediate Similarity | NPD4537 | Clinical (unspecified phase) |
0.7483 | Intermediate Similarity | NPD6355 | Discontinued |
0.7468 | Intermediate Similarity | NPD7199 | Phase 2 |
0.7466 | Intermediate Similarity | NPD1375 | Discontinued |
0.7463 | Intermediate Similarity | NPD1548 | Phase 1 |
0.745 | Intermediate Similarity | NPD5058 | Phase 3 |
0.7419 | Intermediate Similarity | NPD3020 | Approved |
0.7419 | Intermediate Similarity | NPD2801 | Approved |
0.7413 | Intermediate Similarity | NPD2238 | Phase 2 |
0.741 | Intermediate Similarity | NPD3094 | Phase 2 |
0.741 | Intermediate Similarity | NPD8055 | Clinical (unspecified phase) |
0.7394 | Intermediate Similarity | NPD5111 | Phase 2 |
0.7394 | Intermediate Similarity | NPD5109 | Approved |
0.7394 | Intermediate Similarity | NPD5110 | Phase 2 |
0.7391 | Intermediate Similarity | NPD4749 | Approved |
0.7375 | Intermediate Similarity | NPD7184 | Clinical (unspecified phase) |
0.7372 | Intermediate Similarity | NPD1091 | Approved |
0.7368 | Intermediate Similarity | NPD6671 | Approved |
0.7365 | Intermediate Similarity | NPD5177 | Phase 3 |
0.7361 | Intermediate Similarity | NPD3657 | Discovery |
0.7357 | Intermediate Similarity | NPD6584 | Phase 3 |
0.7351 | Intermediate Similarity | NPD4123 | Phase 3 |
0.7347 | Intermediate Similarity | NPD5762 | Approved |
0.7347 | Intermediate Similarity | NPD5763 | Approved |
0.7346 | Intermediate Similarity | NPD3818 | Discontinued |
0.7344 | Intermediate Similarity | NPD968 | Approved |
0.7343 | Intermediate Similarity | NPD2674 | Phase 3 |
0.7338 | Intermediate Similarity | NPD8651 | Approved |
0.7329 | Intermediate Similarity | NPD5960 | Phase 3 |
0.7329 | Intermediate Similarity | NPD6166 | Phase 2 |
0.7329 | Intermediate Similarity | NPD6167 | Clinical (unspecified phase) |
0.7329 | Intermediate Similarity | NPD6168 | Clinical (unspecified phase) |
0.7325 | Intermediate Similarity | NPD4868 | Clinical (unspecified phase) |
0.7324 | Intermediate Similarity | NPD7095 | Approved |
0.7324 | Intermediate Similarity | NPD4625 | Phase 3 |
0.732 | Intermediate Similarity | NPD1653 | Approved |
0.7315 | Intermediate Similarity | NPD4628 | Phase 3 |
0.731 | Intermediate Similarity | NPD6653 | Approved |
0.7303 | Intermediate Similarity | NPD5261 | Clinical (unspecified phase) |
0.7287 | Intermediate Similarity | NPD290 | Approved |
0.7273 | Intermediate Similarity | NPD3145 | Approved |
0.7273 | Intermediate Similarity | NPD3144 | Approved |
0.7273 | Intermediate Similarity | NPD6410 | Clinical (unspecified phase) |
0.7273 | Intermediate Similarity | NPD6055 | Clinical (unspecified phase) |
0.7273 | Intermediate Similarity | NPD7240 | Approved |
0.7267 | Intermediate Similarity | NPD2677 | Approved |
0.7267 | Intermediate Similarity | NPD6190 | Approved |
0.7266 | Intermediate Similarity | NPD5327 | Phase 3 |
0.7261 | Intermediate Similarity | NPD2560 | Approved |
0.7261 | Intermediate Similarity | NPD6374 | Clinical (unspecified phase) |
0.7261 | Intermediate Similarity | NPD2563 | Approved |
0.7254 | Intermediate Similarity | NPD5752 | Clinical (unspecified phase) |
0.7248 | Intermediate Similarity | NPD4162 | Approved |
0.7246 | Intermediate Similarity | NPD7090 | Clinical (unspecified phase) |
0.7246 | Intermediate Similarity | NPD3092 | Approved |
0.7237 | Intermediate Similarity | NPD4160 | Clinical (unspecified phase) |
0.7234 | Intermediate Similarity | NPD6917 | Clinical (unspecified phase) |
0.7226 | Intermediate Similarity | NPD5846 | Approved |
0.7226 | Intermediate Similarity | NPD4675 | Approved |
0.7226 | Intermediate Similarity | NPD5126 | Approved |
0.7226 | Intermediate Similarity | NPD5125 | Phase 3 |
0.7226 | Intermediate Similarity | NPD4678 | Approved |
0.7226 | Intermediate Similarity | NPD6516 | Phase 2 |
0.7222 | Intermediate Similarity | NPD27 | Approved |
0.7222 | Intermediate Similarity | NPD6233 | Phase 2 |
0.7222 | Intermediate Similarity | NPD2489 | Approved |
0.7222 | Intermediate Similarity | NPD1726 | Clinical (unspecified phase) |
0.7219 | Intermediate Similarity | NPD7124 | Phase 2 |
0.7214 | Intermediate Similarity | NPD6696 | Suspended |
0.7211 | Intermediate Similarity | NPD6028 | Clinical (unspecified phase) |
0.7211 | Intermediate Similarity | NPD6029 | Clinical (unspecified phase) |
0.7208 | Intermediate Similarity | NPD4210 | Discontinued |
0.7197 | Intermediate Similarity | NPD5772 | Approved |
0.7197 | Intermediate Similarity | NPD5773 | Approved |
0.7194 | Intermediate Similarity | NPD2230 | Approved |
0.7194 | Intermediate Similarity | NPD2235 | Phase 2 |
0.7194 | Intermediate Similarity | NPD1608 | Approved |
0.7194 | Intermediate Similarity | NPD2233 | Approved |
0.7194 | Intermediate Similarity | NPD2231 | Phase 2 |
0.7194 | Intermediate Similarity | NPD2232 | Approved |
0.7192 | Intermediate Similarity | NPD6353 | Approved |
0.719 | Intermediate Similarity | NPD52 | Approved |
0.719 | Intermediate Similarity | NPD7527 | Clinical (unspecified phase) |
0.719 | Intermediate Similarity | NPD7526 | Approved |
0.7188 | Intermediate Similarity | NPD5494 | Approved |
0.7186 | Intermediate Similarity | NPD7312 | Approved |
0.7186 | Intermediate Similarity | NPD7313 | Approved |
0.7186 | Intermediate Similarity | NPD7311 | Approved |
0.7186 | Intermediate Similarity | NPD7310 | Approved |
0.7183 | Intermediate Similarity | NPD9494 | Approved |
0.7177 | Intermediate Similarity | NPD2860 | Approved |
0.7177 | Intermediate Similarity | NPD2859 | Approved |
0.7172 | Intermediate Similarity | NPD4140 | Approved |
0.7172 | Intermediate Similarity | NPD5837 | Clinical (unspecified phase) |
0.7171 | Intermediate Similarity | NPD1511 | Approved |
0.7171 | Intermediate Similarity | NPD4357 | Discontinued |
0.717 | Intermediate Similarity | NPD7975 | Clinical (unspecified phase) |
0.7169 | Intermediate Similarity | NPD7685 | Pre-registration |
0.7165 | Intermediate Similarity | NPD291 | Approved |
0.7161 | Intermediate Similarity | NPD4005 | Discontinued |
0.716 | Intermediate Similarity | NPD2969 | Approved |
0.716 | Intermediate Similarity | NPD2970 | Approved |
0.7153 | Intermediate Similarity | NPD6798 | Discontinued |
0.7152 | Intermediate Similarity | NPD7074 | Phase 3 |
0.7152 | Intermediate Similarity | NPD5241 | Discontinued |
0.7143 | Intermediate Similarity | NPD6583 | Phase 3 |
0.7143 | Intermediate Similarity | NPD7309 | Approved |
0.7143 | Intermediate Similarity | NPD6582 | Phase 2 |
0.7143 | Intermediate Similarity | NPD6895 | Approved |
0.7143 | Intermediate Similarity | NPD6896 | Approved |
0.7114 | Intermediate Similarity | NPD6006 | Clinical (unspecified phase) |
0.7114 | Intermediate Similarity | NPD3540 | Phase 1 |
0.7114 | Intermediate Similarity | NPD6004 | Phase 3 |
0.7114 | Intermediate Similarity | NPD6005 | Phase 3 |
0.7114 | Intermediate Similarity | NPD6002 | Phase 3 |
0.7114 | Intermediate Similarity | NPD6003 | Clinical (unspecified phase) |
0.7113 | Intermediate Similarity | NPD4624 | Approved |
0.7101 | Intermediate Similarity | NPD2667 | Approved |
0.7101 | Intermediate Similarity | NPD2668 | Approved |
0.7099 | Intermediate Similarity | NPD3051 | Approved |
0.7097 | Intermediate Similarity | NPD2933 | Approved |
0.7097 | Intermediate Similarity | NPD9296 | Approved |
0.7097 | Intermediate Similarity | NPD3687 | Approved |
0.7097 | Intermediate Similarity | NPD2934 | Approved |
0.7097 | Intermediate Similarity | NPD3686 | Approved |
0.7091 | Intermediate Similarity | NPD7054 | Approved |
0.7089 | Intermediate Similarity | NPD6818 | Clinical (unspecified phase) |
0.7086 | Intermediate Similarity | NPD6658 | Clinical (unspecified phase) |
0.7083 | Intermediate Similarity | NPD4578 | Approved |
0.7083 | Intermediate Similarity | NPD4577 | Approved |
0.708 | Intermediate Similarity | NPD3091 | Approved |
0.708 | Intermediate Similarity | NPD1182 | Approved |
0.7078 | Intermediate Similarity | NPD1512 | Approved |
0.7071 | Intermediate Similarity | NPD1840 | Phase 2 |
0.7067 | Intermediate Similarity | NPD7037 | Approved |
0.7059 | Intermediate Similarity | NPD4663 | Approved |
0.7055 | Intermediate Similarity | NPD3062 | Approved |
0.7055 | Intermediate Similarity | NPD3059 | Approved |
0.7055 | Intermediate Similarity | NPD3061 | Approved |
0.7048 | Intermediate Similarity | NPD7472 | Approved |
0.7047 | Intermediate Similarity | NPD3539 | Phase 1 |
0.7047 | Intermediate Similarity | NPD2438 | Suspended |
0.7045 | Intermediate Similarity | NPD5451 | Approved |
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.