31 Known Ingredients in Total
Unique ingredients have been isolated from this plant.
Plant-Ingredients Associations were manually curated from publications or collected from other databases.
6 Ingredients with Available Activity
Unique ingredients have activity data available.
Ingredient Structrual Cards
Ingredient ID: NPC91069
Formula: C20H22O6
Ingredient ID: NPC91069
| Common Name | n.a. |
| IUPAC Name | [4-hydroxy-3-methoxy-2-(3-methylbut-2-enyl)phenyl] 2,4-dihydroxy-6-methylbenzoate |
| Canonical SMILES | COc1c(O)ccc(c1CC=C(C)C)OC(=O)c1c(C)cc(cc1O)O |
| Standard InCHI | InChI=1S/C20H22O6/c1-11(2)5-6-14-17(8-7-15(22)19(14)25-4)26-20(24)18-12(3)9-13(21)10-16(18)23/h5,7-10,21-23H,6H2,1-4H3 |
| Standard InCHIKey | RGGLERSJYRMVRI-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 102227582 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD219519] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
 |
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
 |
Ingredient ID: NPC65882
Formula: C12H16O3
Ingredient ID: NPC65882
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OCc1ccc(c(c1)/C=C/C(O)(C)C)O |
| Standard InCHI | InChI=1S/C12H16O3/c1-12(2,15)6-5-10-7-9(8-13)3-4-11(10)14/h3-7,13-15H,8H2,1-2H3/b6-5+ |
| Standard InCHIKey | OWGMKPUUVAPERD-AATRIKPKSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD124086] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC49140
Formula: C15H20O3
Ingredient ID: NPC49140
| Common Name | n.a. |
| IUPAC Name | (3R,3aS,4R,7aS)-4-hydroxy-3,3a,5,5-tetramethyl-3,4,7,7a-tetrahydro-1H-cyclopenta[a]pentalene-2,6-dione |
| Canonical SMILES | O=C1C[C@H]2[C@]([C@H]1C)(C)C1=C(C2)C(=O)C([C@@H]1O)(C)C |
| Standard InCHI | InChI=1S/C15H20O3/c1-7-10(16)6-8-5-9-11(15(7,8)4)13(18)14(2,3)12(9)17/h7-8,13,18H,5-6H2,1-4H3/t7-,8-,13+,15+/m0/s1 |
| Standard InCHIKey | JDNHHSVZZOCUOM-WCBQKTFOSA-N |
| Ingredient External Links |
PubChem CID: 636776 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD190545] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC4574
Formula: C28H44O3
Ingredient ID: NPC4574
| Common Name | Ergosterol Peroxide |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@H]1CC[C@]2([C@@]3(C1)OO[C@@]1([C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C=C3)C |
| Standard InCHI | InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1 |
| Standard InCHIKey | VXOZCESVZIRHCJ-KGHQQZOUSA-N |
| Ingredient External Links |
PubChem CID: 5351516 ZINC ID: ZINC000038139718 ChEMBL ID: CHEMBL434750 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC4574] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Garcinia atroviridis | Garcinia | Clusiaceae |
|
| Acacia saligna | Acacia | Fabaceae |
|
| Gentiana purpurea | Gentiana | Gentianaceae |
|
| Rhodiola rosea | Rhodiola | Crassulaceae |
 |
| Radermachera boniana | Radermachera | Bignoniaceae | |
| Mentha x piperita | Mentha | Lamiaceae |
|
| Trema dielsiana | Trema | Cannabaceae | |
| Haloxylon salicornicum | Haloxylon | Chenopodiaceae |
|
| Xanthium strumarium | Xanthium | Asteraceae |
|
| Putterlickia verrucosa | Putterlickia | Celastraceae | |
| Pisonia aculeata | Pisonia | Nyctaginaceae |
|
| Commiphora mukul | Commiphora | Burseraceae |
|
| Breynia fruticosa | Breynia | Phyllanthaceae |
|
| Gentiana dahurica | Gentiana | Gentianaceae |
|
| Sterculia urens | Sterculia | Malvaceae |
|
| Cirsium brevistylum | Cirsium | Asteraceae |
|
| Vigna mungo | Vigna | Fabaceae |
|
| solanum violaceum | Solanum | Solanaceae |
|
| Macaranga conifera | Macaranga | Euphorbiaceae | |
| Andrographis paniculata | Andrographis | Acanthaceae |
|
| Calypogeia integristipula | Calypogeia | Calypogeiaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Desmodium oxyphyllum | Desmodium | Fabaceae | |
| Vernonia condensata | Vernonia | Asteraceae | |
| Vaccaria hispanica | Vaccaria | Caryophyllaceae |
|
| Juniperus occidentalis | Juniperus | Cupressaceae |
|
| Tanacetum parthenium | Tanacetum | Asteraceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC44259
Formula: C11H19NO6
Ingredient ID: NPC44259
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OCC(NC1=C(OC)C(=O)C[C@@](C1)(O)CO)CO |
| Standard InCHI | InChI=1S/C11H19NO6/c1-18-10-8(12-7(4-13)5-14)2-11(17,6-15)3-9(10)16/h7,12-15,17H,2-6H2,1H3/t11-/m1/s1 |
| Standard InCHIKey | VVTDHOIRNPCGTH-LLVKDONJSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD97672] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC39603
Formula: C12H10O3
Ingredient ID: NPC39603
| Common Name | n.a. |
| IUPAC Name | 3,6-dihydroxy-2-(3-methylbut-3-en-1-ynyl)benzaldehyde |
| Canonical SMILES | O=Cc1c(O)ccc(c1C#CC(=C)C)O |
| Standard InCHI | InChI=1S/C12H10O3/c1-8(2)3-4-9-10(7-13)12(15)6-5-11(9)14/h5-7,14-15H,1H2,2H3 |
| Standard InCHIKey | ZEFPFLXIQAIPNE-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 11593647 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD113307] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC306921
Formula: C17H18O3
Ingredient ID: NPC306921
| Common Name | n.a. |
| IUPAC Name | 2,5-dihydroxy-3-(3-methylbut-2-enyl)-6-(3-methylbut-3-en-1-ynyl)benzaldehyde |
| Canonical SMILES | O=Cc1c(C#CC(=C)C)c(O)cc(c1O)CC=C(C)C |
| Standard InCHI | InChI=1S/C17H18O3/c1-11(2)5-7-13-9-16(19)14(8-6-12(3)4)15(10-18)17(13)20/h5,9-10,19-20H,3,7H2,1-2,4H3 |
| Standard InCHIKey | OHAIZLWDWYVYPJ-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 10801986 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD76951] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC291389
Formula: C12H10N2O
Ingredient ID: NPC291389
| Common Name | Harmol |
| IUPAC Name | 1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one |
| Canonical SMILES | O=c1ccc2c(c1)[nH]c1c2cc[nH]c1C |
| Standard InCHI | InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,13-14H,1H3 |
| Standard InCHIKey | LBBJNGFCXDOYMQ-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 68094 ZINC ID: ZINC000100076738 ChEMBL ID: CHEMBL486817 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC291389] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Passiflora incarnata | Passiflora | Passifloraceae |
 |
| Peganum harmala | Peganum | Nitrariaceae |
|
| Passiflora edulis | Passiflora | Passifloraceae |
|
| Hippophae rhamnoides | Hippophae | Elaeagnaceae |
|
| Trema dielsiana | Trema | Cannabaceae | |
| Elaeagnus angustifolia | Elaeagnus | Elaeagnaceae |
|
| Tribulus terrestris | Tribulus | Zygophyllaceae |
|
Ingredient ID: NPC290669
Formula: C17H14O3
Ingredient ID: NPC290669
| Common Name | n.a. |
| IUPAC Name | 2,5-dihydroxy-3,6-bis(3-methylbut-3-en-1-ynyl)benzaldehyde |
| Canonical SMILES | O=Cc1c(O)c(C#CC(=C)C)cc(c1C#CC(=C)C)O |
| Standard InCHI | InChI=1S/C17H14O3/c1-11(2)5-7-13-9-16(19)14(8-6-12(3)4)15(10-18)17(13)20/h9-10,19-20H,1,3H2,2,4H3 |
| Standard InCHIKey | HYBMAHHVQYMCBJ-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 10901538 ZINC ID: ZINC000014715609 |
| Plant-Ingredient Association Reference |
Database: UNPD [] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC287365
Formula: C15H20O5
Ingredient ID: NPC287365
| Common Name | n.a. |
| IUPAC Name | (3aR,3bR,5S,6aR,7aS)-2,7a-dihydroxy-3,3a,5-trimethyl-1-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalene-5-carboxylic acid |
| Canonical SMILES | OC1=C(C)[C@@]2([C@@](C1=O)(O)C[C@@H]1[C@H]2C[C@@](C1)(C)C(=O)O)C |
| Standard InCHI | InChI=1S/C15H20O5/c1-7-10(16)11(17)15(20)5-8-4-13(2,12(18)19)6-9(8)14(7,15)3/h8-9,16,20H,4-6H2,1-3H3,(H,18,19)/t8-,9-,13+,14+,15-/m1/s1 |
| Standard InCHIKey | WWSCHJNVBFNZCH-FWYKCERLSA-N |
| Ingredient External Links |
PubChem CID: 102227583 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD223772] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC281758
Formula: C16H22O5
Ingredient ID: NPC281758
| Common Name | n.a. |
| IUPAC Name | methyl (3aR,3bR,5S,6aR,7aS)-2,7a-dihydroxy-3,3a,5-trimethyl-1-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalene-5-carboxylate |
| Canonical SMILES | COC(=O)[C@@]1(C)C[C@H]2[C@@H](C1)[C@]1([C@](C2)(O)C(=O)C(=C1C)O)C |
| Standard InCHI | InChI=1S/C16H22O5/c1-8-11(17)12(18)16(20)6-9-5-14(2,13(19)21-4)7-10(9)15(8,16)3/h9-10,17,20H,5-7H2,1-4H3/t9-,10-,14+,15+,16-/m1/s1 |
| Standard InCHIKey | BZEAXBLCXACAHJ-OLGBICLBSA-N |
| Ingredient External Links |
PubChem CID: 102227585 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD225911] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC276822
Formula: C18H18N2O7S2
Ingredient ID: NPC276822
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@H]1CC(=O)[C@H]2[C@@H]([C@H]1O)N1C(=O)[C@]34SS[C@]1(C2)C(=O)N4[C@H]1[C@H](C3)C(=O)C=C[C@@H]1O |
| Standard InCHI | InChI=1S/C18H18N2O7S2/c21-8-1-2-9(22)12-6(8)4-17-16(27)20-13-7(10(23)3-11(24)14(13)25)5-18(20,29-28-17)15(26)19(12)17/h1-2,6-7,9,11-14,22,24-25H,3-5H2/t6-,7+,9+,11+,12+,13+,14+,17-,18-/m1/s1 |
| Standard InCHIKey | NCDIBOQDVNONGL-HISJFFBUSA-N |
| Ingredient External Links |
PubChem CID: 10410865 ChEMBL ID: CHEMBL3102874 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD83858] Database: NPASS [NPC276822] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC273483
Formula: C21H24O7
Ingredient ID: NPC273483
| Common Name | n.a. |
| IUPAC Name | [3-hydroxy-4,5-bis(hydroxymethyl)-2-(3-methylbut-2-enyl)phenyl] 2,4-dihydroxy-6-methylbenzoate |
| Canonical SMILES | OCc1c(CO)cc(c(c1O)CC=C(C)C)OC(=O)c1c(C)cc(cc1O)O |
| Standard InCHI | InChI=1S/C21H24O7/c1-11(2)4-5-15-18(7-13(9-22)16(10-23)20(15)26)28-21(27)19-12(3)6-14(24)8-17(19)25/h4,6-8,22-26H,5,9-10H2,1-3H3 |
| Standard InCHIKey | WTZUCTQSBSDSRG-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 100450 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD172572] Database: NPASS [NPC273483] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Allium cepa | Allium | Amaryllidaceae |
|
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC270511
Formula: C28H42O3
Ingredient ID: NPC270511
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@H]1CC[C@]2([C@@]3(C1)OO[C@@]1(C2=CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C=C3)C |
| Standard InCHI | InChI=1S/C28H42O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,18-23,29H,9-11,13-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,25+,26+,27+,28-/m0/s1 |
| Standard InCHIKey | FWPYIYVSYQRISA-LEOBWYFPSA-N |
| Ingredient External Links |
PubChem CID: 11112737 ZINC ID: ZINC000044308050 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC270511] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Haloxylon salicornicum | Haloxylon | Chenopodiaceae |
|
| solanum violaceum | Solanum | Solanaceae |
|
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC262880
Formula: C18H16N2O6S2
Ingredient ID: NPC262880
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@H]1C=CC(=O)[C@H]2[C@@H]1N1C(=O)[C@]34SS[C@]1(C2)C(=O)N4[C@H]1[C@H](C3)C(=O)C=C[C@@H]1O |
| Standard InCHI | InChI=1S/C18H16N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h1-4,7-8,11-14,23-24H,5-6H2/t7-,8+,11-,12-,13-,14-,17+,18+/m0/s1 |
| Standard InCHIKey | RCODXLGTKJXDNC-ODWYQEHYSA-N |
| Ingredient External Links |
PubChem CID: 73891006 ChEMBL ID: CHEMBL3104418 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD11193] Database: NPASS [NPC262880] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC251884
Formula: C11H19NO6
Ingredient ID: NPC251884
| Common Name | Mycosporine Serinol |
| IUPAC Name | (5S)-3-(1,3-dihydroxypropan-2-ylamino)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-one |
| Canonical SMILES | OCC(NC1=C(OC)C(=O)C[C@](C1)(O)CO)CO |
| Standard InCHI | InChI=1S/C11H19NO6/c1-18-10-8(12-7(4-13)5-14)2-11(17,6-15)3-9(10)16/h7,12-15,17H,2-6H2,1H3/t11-/m0/s1 |
| Standard InCHIKey | VVTDHOIRNPCGTH-NSHDSACASA-N |
| Ingredient External Links |
PubChem CID: 442866 ChEMBL ID: CHEMBL1210424 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD4899] Database: NPASS [NPC251884] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC247902
Formula: C18H16N2O6S2
Ingredient ID: NPC247902
| Common Name | Epicorazine A |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@H]1C=CC(=O)[C@@H]2[C@@H]1N1C(=O)[C@]34SS[C@]1(C2)C(=O)N4[C@H]1[C@H](C3)C(=O)C=C[C@@H]1O |
| Standard InCHI | InChI=1S/C18H16N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h1-4,7-8,11-14,23-24H,5-6H2/t7-,8-,11+,12+,13+,14+,17-,18-/m1/s1 |
| Standard InCHIKey | RCODXLGTKJXDNC-UORGKRBOSA-N |
| Ingredient External Links |
PubChem CID: 57383998 ChEMBL ID: CHEMBL2024572 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD10252] Database: NPASS [NPC247902] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC227848
Formula: C15H20O4
Ingredient ID: NPC227848
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@H]1[C@H]2O[C@]32[C@](C1=C)(C)[C@H]1[C@@H](C3)C[C@](C1)(C)C(=O)O |
| Standard InCHI | InChI=1S/C15H20O4/c1-7-10(16)11-15(19-11)5-8-4-13(2,12(17)18)6-9(8)14(7,15)3/h8-11,16H,1,4-6H2,2-3H3,(H,17,18)/t8-,9-,10-,11-,13+,14+,15-/m1/s1 |
| Standard InCHIKey | IZLOHISHEUGGDJ-BLYYJXBTSA-N |
| Ingredient External Links |
PubChem CID: 442376 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD159667] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC222749
Formula: C15H20O4
Ingredient ID: NPC222749
| Common Name | n.a. |
| IUPAC Name | (3aS,3bR,5S,6aS,7aR)-2-hydroxy-3,3a,5-trimethyl-1-oxo-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalene-5-carboxylic acid |
| Canonical SMILES | O=C1C(=C([C@@]2([C@H]1C[C@@H]1[C@H]2C[C@@](C1)(C)C(=O)O)C)C)O |
| Standard InCHI | InChI=1S/C15H20O4/c1-7-11(16)12(17)9-4-8-5-14(2,13(18)19)6-10(8)15(7,9)3/h8-10,16H,4-6H2,1-3H3,(H,18,19)/t8-,9-,10+,14-,15+/m0/s1 |
| Standard InCHIKey | BXFARSQJYWGLAG-UZGCMYEVSA-N |
| Ingredient External Links |
PubChem CID: 102227584 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD227968] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC212596
Formula: C29H46O3
Ingredient ID: NPC212596
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CC[C@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]32OO[C@]2([C@]1(C)CC[C@@H](C2)O)C=C3)C |
| Standard InCHI | InChI=1S/C29H46O3/c1-7-21(19(2)3)9-8-20(4)23-10-11-24-26(23,5)14-13-25-27(6)15-12-22(30)18-28(27)16-17-29(24,25)32-31-28/h8-9,16-17,19-25,30H,7,10-15,18H2,1-6H3/b9-8+/t20-,21+,22+,23-,24-,25-,26-,27-,28-,29+/m1/s1 |
| Standard InCHIKey | JCLCRSATHUBFEO-LAWYILJMSA-N |
| Ingredient External Links |
PubChem CID: 15454715 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD5009] Database: NPASS [NPC212596] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC199156
Formula: C12H12O3
Ingredient ID: NPC199156
| Common Name | n.a. |
| IUPAC Name | 2-(hydroxymethyl)-3-(3-methylbut-3-en-1-ynyl)benzene-1,4-diol |
| Canonical SMILES | OCc1c(O)ccc(c1C#CC(=C)C)O |
| Standard InCHI | InChI=1S/C12H12O3/c1-8(2)3-4-9-10(7-13)12(15)6-5-11(9)14/h5-6,13-15H,1,7H2,2H3 |
| Standard InCHIKey | PWAULXVZWSFORA-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 11521285 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD28931] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC191515
Formula: C18H20N2O6S2
Ingredient ID: NPC191515
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@@H]1CCC(=O)[C@@H]2[C@@H]1N1C(=O)[C@]34SS[C@]1(C2)C(=O)N4[C@H]1[C@H](C3)C(=O)CC[C@@H]1O |
| Standard InCHI | InChI=1S/C18H20N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h7-8,11-14,23-24H,1-6H2/t7-,8-,11-,12+,13+,14+,17-,18-/m1/s1 |
| Standard InCHIKey | ICKHXBRXCAORGF-IMRAWGHTSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD146943] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC1801
Formula: C19H20O5
Ingredient ID: NPC1801
| Common Name | n.a. |
| IUPAC Name | [4-hydroxy-2-(3-methylbut-2-enyl)phenyl] 2,4-dihydroxy-6-methylbenzoate |
| Canonical SMILES | CC(=CCc1cc(O)ccc1OC(=O)c1c(C)cc(cc1O)O)C |
| Standard InCHI | InChI=1S/C19H20O5/c1-11(2)4-5-13-9-14(20)6-7-17(13)24-19(23)18-12(3)8-15(21)10-16(18)22/h4,6-10,20-22H,5H2,1-3H3 |
| Standard InCHIKey | MKTUMKHNZXWOIQ-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 102227581 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD221644] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC160125
Formula: C13H12N2O
Ingredient ID: NPC160125
| Common Name | n.a. |
| IUPAC Name | 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole |
| Canonical SMILES | [11CH3]Oc1ccc2c(c1)[nH]c1c2ccnc1C |
| Standard InCHI | InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3/i2-1 |
| Standard InCHIKey | BXNJHAXVSOCGBA-JVVVGQRLSA-N |
| Ingredient External Links |
PubChem CID: 5462124 |
| Plant-Ingredient Association Reference |
Database: TCMID [9234] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Passiflora incarnata | Passiflora | Passifloraceae |
|
| Peganum harmala | Peganum | Nitrariaceae |
|
| Passiflora edulis | Passiflora | Passifloraceae |
|
| Uncaria rhynchophylla | Uncaria | Rubiaceae |
|
| Hippophae rhamnoides | Hippophae | Elaeagnaceae |
|
| Trema dielsiana | Trema | Cannabaceae | |
| Polygala tenuifolia | Polygala | Polygalaceae |
|
| Elaeagnus angustifolia | Elaeagnus | Elaeagnaceae |
|
| Tribulus terrestris | Tribulus | Zygophyllaceae |
|
Ingredient ID: NPC156599
Formula: C17H16O3
Ingredient ID: NPC156599
| Common Name | n.a. |
| IUPAC Name | 3-(hydroxymethyl)-2,5-bis(3-methylbut-3-en-1-ynyl)benzene-1,4-diol |
| Canonical SMILES | OCc1c(O)c(C#CC(=C)C)cc(c1C#CC(=C)C)O |
| Standard InCHI | InChI=1S/C17H16O3/c1-11(2)5-7-13-9-16(19)14(8-6-12(3)4)15(10-18)17(13)20/h9,18-20H,1,3,10H2,2,4H3 |
| Standard InCHIKey | BRMAAADEEFMXPX-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 11000049 ZINC ID: ZINC000014715611 |
| Plant-Ingredient Association Reference |
Database: UNPD [] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC14380
Formula: C27H40O3
Ingredient ID: NPC14380
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CC(C/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@]32OO[C@]2([C@]1(C)CC[C@@H](C2)O)C=C3)C)C |
| Standard InCHI | InChI=1S/C27H40O3/c1-18(2)7-6-8-19(3)21-9-10-22-24(21,4)13-12-23-25(5)14-11-20(28)17-26(25)15-16-27(22,23)30-29-26/h6,8,12,15-16,18-22,28H,7,9-11,13-14,17H2,1-5H3/b8-6+/t19-,20+,21-,22-,24-,25-,26-,27+/m1/s1 |
| Standard InCHIKey | CAUMZAZCOGASOU-LRCFNPBWSA-N |
| Ingredient External Links |
PubChem CID: 15454717 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD124173] Database: NPASS [NPC14380] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC134063
Formula: C13H14O3
Ingredient ID: NPC134063
| Common Name | n.a. |
| IUPAC Name | 3-(hydroxymethyl)-4-methoxy-2-(3-methylbut-3-en-1-ynyl)phenol |
| Canonical SMILES | OCc1c(OC)ccc(c1C#CC(=C)C)O |
| Standard InCHI | InChI=1S/C13H14O3/c1-9(2)4-5-10-11(8-14)13(16-3)7-6-12(10)15/h6-7,14-15H,1,8H2,2-3H3 |
| Standard InCHIKey | GNRILTNARVCLOD-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 10513000 ZINC ID: ZINC000015218707 |
| Plant-Ingredient Association Reference |
Database: UNPD [] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC125645
Formula: C16H20O6
Ingredient ID: NPC125645
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OC[C@H]1O[C@@H]([C@H]([C@@H]1O)O)Oc1ccc2c(c1)C=CC(O2)(C)C |
| Standard InCHI | InChI=1S/C16H20O6/c1-16(2)6-5-9-7-10(3-4-11(9)22-16)20-15-14(19)13(18)12(8-17)21-15/h3-7,12-15,17-19H,8H2,1-2H3/t12-,13-,14+,15+/m1/s1 |
| Standard InCHIKey | VWBXKUAVNIEMKH-KBXIAJHMSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD162771] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC119564
Formula: C15H22O3
Ingredient ID: NPC119564
| Common Name | n.a. |
| IUPAC Name | (3R,3aR,3bR,4R,6aR)-4,6a-dihydroxy-3,3a,5,5-tetramethyl-3b,4,6,7-tetrahydro-3H-cyclopenta[a]pentalen-2-one |
| Canonical SMILES | O=C1C=C2[C@]([C@H]1C)(C)[C@H]1[C@](C2)(O)CC([C@@H]1O)(C)C |
| Standard InCHI | InChI=1S/C15H22O3/c1-8-10(16)5-9-6-15(18)7-13(2,3)12(17)11(15)14(8,9)4/h5,8,11-12,17-18H,6-7H2,1-4H3/t8-,11-,12+,14+,15+/m0/s1 |
| Standard InCHIKey | SWEMDFMQXLKKFA-CARMDJQYSA-N |
| Ingredient External Links |
PubChem CID: 11021310 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD3923] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Ingredient ID: NPC109358
Formula: C15H22O3
Ingredient ID: NPC109358
| Common Name | n.a. |
| IUPAC Name | (3R,3aR,3bS,5S,6aR)-6a-hydroxy-5-(hydroxymethyl)-3,3a,5-trimethyl-3b,4,6,7-tetrahydro-3H-cyclopenta[a]pentalen-2-one |
| Canonical SMILES | OC[C@@]1(C)C[C@@H]2[C@@](C1)(O)CC1=CC(=O)[C@@H]([C@@]21C)C |
| Standard InCHI | InChI=1S/C15H22O3/c1-9-11(17)4-10-5-15(18)7-13(2,8-16)6-12(15)14(9,10)3/h4,9,12,16,18H,5-8H2,1-3H3/t9-,12-,13-,14+,15+/m0/s1 |
| Standard InCHIKey | DNUNLBFMRIHNOC-JLGPQHSXSA-N |
| Ingredient External Links |
PubChem CID: 21672080 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD149422] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Trema dielsiana | Trema | Cannabaceae | |
| Pachysandra procumbens | Pachysandra | Buxaceae |
|
| Eucalyptus maideni | Eucalyptus | Myrtaceae |
|
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NPC109358 | C15H22O3 | (3R,3aR,3bS,5S,6aR)-6a-hydroxy-5-(hydroxymethyl)-3,3a,5-trimethyl-3b,4,6,7-tetrahydro-3H-cyclopenta[a]pentalen-2-one | 250.1568946 | 0.4763 | 2.78 | 0.261 | 3 | 2 | 57.53 | 1 | 3 | 18 | 0 |
| NPC119564 | C15H22O3 | (3R,3aR,3bR,4R,6aR)-4,6a-dihydroxy-3,3a,5,5-tetramethyl-3b,4,6,7-tetrahydro-3H-cyclopenta[a]pentalen-2-one | 250.1568946 | 0.7351 | 2.78 | 0.363 | 3 | 2 | 57.53 | 0 | 3 | 18 | 0 |
| NPC125645 | C16H20O6 | 308.1259884 | -0.7887 | 2.56 | 1.405 | 4 | 3 | 88.38 | 3 | 3 | 22 | 0 | |
| NPC134063 | C13H14O3 | 3-(hydroxymethyl)-4-methoxy-2-(3-methylbut-3-en-1-ynyl)phenol | 218.0942943 | 0.7835 | 2.56 | 1.983 | 1 | 2 | 49.69 | 2 | 1 | 16 | 0 |
| NPC14380 | C27H40O3 | 412.2977451 | 3.0672 | 4.1 | 6.98 | 3 | 1 | 38.69 | 10 | 3 | 30 | 1 | |
| NPC156599 | C17H16O3 | 3-(hydroxymethyl)-2,5-bis(3-methylbut-3-en-1-ynyl)benzene-1,4-diol | 268.1099444 | 2.1193 | 3 | 3.507 | 1 | 3 | 60.69 | 1 | 1 | 20 | 0 |
| NPC160125 | C13H12N2O | 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole | 212.094963 | -0.0327 | 2.56 | 2.313 | 2 | 1 | 37.91 | 1 | 3 | 16 | 0 |
| NPC1801 | C19H20O5 | [4-hydroxy-2-(3-methylbut-2-enyl)phenyl] 2,4-dihydroxy-6-methylbenzoate | 328.1310737 | 1.0474 | 3 | 4.573 | 1 | 3 | 86.99 | 5 | 2 | 24 | 0 |
| NPC191515 | C18H20N2O6S2 | 424.0762784 | -1.9828 | 2.34 | -3.16 | 8 | 2 | 165.82 | 0 | 4 | 28 | 0 | |
| NPC199156 | C12H12O3 | 2-(hydroxymethyl)-3-(3-methylbut-3-en-1-ynyl)benzene-1,4-diol | 204.0786442 | 0.375 | 2.45 | 1.893 | 1 | 3 | 60.69 | 1 | 1 | 15 | 0 |
| NPC212596 | C29H46O3 | 442.3446953 | 2.1523 | 4.32 | 8.952 | 3 | 1 | 38.69 | 12 | 3 | 32 | 1 | |
| NPC222749 | C15H20O4 | (3aS,3bR,5S,6aS,7aR)-2-hydroxy-3,3a,5-trimethyl-1-oxo-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalene-5-carboxylic acid | 264.1361591 | 0.6116 | 2.67 | 1.739 | 4 | 2 | 74.6 | 1 | 3 | 19 | 0 |
| NPC227848 | C15H20O4 | 264.1361591 | 0.1808 | 2.67 | 0.158 | 4 | 2 | 70.06 | 1 | 4 | 19 | 0 | |
| NPC247902 | C18H16N2O6S2 | Epicorazine A | 420.04 | -0.7542 | 2.34 | -2.856 | 8 | 2 | 165.82 | 2 | 4 | 28 | 0 |
| NPC251884 | C11H19NO6 | Mycosporine Serinol | 261.12 | -3.2063 | 1.9 | -2.653 | 7 | 5 | 119.25 | 11 | 1 | 18 | 0 |
| NPC262880 | C18H16N2O6S2 | 420.04 | -0.7542 | 2.34 | -2.856 | 8 | 2 | 165.82 | 2 | 4 | 28 | 0 | |
| NPC270511 | C28H42O3 | 426.3133952 | 3.1382 | 4.21 | 7.484 | 3 | 1 | 38.69 | 11 | 3 | 31 | 1 | |
| NPC273483 | C21H24O7 | 388.1522031 | 0.15 | 3 | 2.962 | 3 | 5 | 127.45 | 15 | 2 | 28 | 0 | |
| NPC276822 | C18H18N2O7S2 | 438.06 | -1.5912 | 2.23 | -3.609 | 9 | 3 | 186.05 | 3 | 4 | 29 | 0 | |
| NPC281758 | C16H22O5 | methyl (3aR,3bR,5S,6aR,7aS)-2,7a-dihydroxy-3,3a,5-trimethyl-1-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalene-5-carboxylate | 294.1467238 | 0.2621 | 2.67 | 0.909 | 5 | 2 | 83.83 | 2 | 3 | 21 | 0 |
| NPC287365 | C15H20O5 | (3aR,3bR,5S,6aR,7aS)-2,7a-dihydroxy-3,3a,5-trimethyl-1-oxo-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalene-5-carboxylic acid | 280.1310737 | 0.0111 | 2.56 | 0.588 | 5 | 3 | 94.83 | 1 | 3 | 20 | 0 |
| NPC290669 | C17H14O3 | 2,5-dihydroxy-3,6-bis(3-methylbut-3-en-1-ynyl)benzaldehyde | 266.0942943 | 2.3756 | 3 | 4.178 | 1 | 2 | 57.53 | 1 | 1 | 20 | 0 |
| NPC291389 | C12H10N2O | Harmol | 198.08 | -0.8687 | 2.45 | 2.112 | 3 | 2 | 44.89 | 1 | 3 | 15 | 0 |
| NPC306921 | C17H18O3 | 2,5-dihydroxy-3-(3-methylbut-2-enyl)-6-(3-methylbut-3-en-1-ynyl)benzaldehyde | 270.1255944 | 2.5087 | 3 | 4.034 | 1 | 2 | 57.53 | 3 | 1 | 20 | 0 |
| NPC39603 | C12H10O3 | 3,6-dihydroxy-2-(3-methylbut-3-en-1-ynyl)benzaldehyde | 202.0629942 | 0.6313 | 2.45 | 2.564 | 1 | 2 | 57.53 | 1 | 1 | 15 | 0 |
| NPC44259 | C11H19NO6 | 261.1212373 | -3.2063 | 1.9 | -2.653 | 7 | 5 | 119.25 | 6 | 1 | 18 | 0 | |
| NPC4574 | C28H44O3 | Ergosterol Peroxide | 428.33 | 2.8285 | 4.21 | 8.383 | 3 | 1 | 38.69 | 11 | 3 | 31 | 1 |
| NPC49140 | C15H20O3 | (3R,3aS,4R,7aS)-4-hydroxy-3,3a,5,5-tetramethyl-3,4,7,7a-tetrahydro-1H-cyclopenta[a]pentalene-2,6-dione | 248.1412445 | 0.5694 | 2.78 | -0.319 | 3 | 1 | 54.37 | 0 | 3 | 18 | 0 |
| NPC65882 | C12H16O3 | 208.1099444 | -0.3074 | 2.45 | 1.195 | 2 | 3 | 60.69 | 3 | 1 | 15 | 0 | |
| NPC91069 | C20H22O6 | [4-hydroxy-3-methoxy-2-(3-methylbut-2-enyl)phenyl] 2,4-dihydroxy-6-methylbenzoate | 358.1416384 | 0.9956 | 3 | 4.129 | 1 | 3 | 96.22 | 6 | 2 | 26 | 0 |
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
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