14 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: NPC94355
Formula: C18H24N2O3
Ingredient ID: NPC94355
| Common Name | n.a. |
| IUPAC Name | (E)-4-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide |
| Canonical SMILES | OC/C=C(/C(=NCCCCN=C(/C=C/c1ccccc1)O)O)C |
| Standard InCHI | InChI=1S/C18H24N2O3/c1-15(11-14-21)18(23)20-13-6-5-12-19-17(22)10-9-16-7-3-2-4-8-16/h2-4,7-11,21H,5-6,12-14H2,1H3,(H,19,22)(H,20,23)/b10-9+,15-11+ |
| Standard InCHIKey | VRQBQHFFHBFLQO-LVICEBGESA-N |
| Ingredient External Links |
PubChem CID: 10980024 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD83718] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Salvia trijuga | Salvia | Lamiaceae |
 |
| Erophaca baetica subsp. baetica | Erophaca | Fabaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Senecio asper | Senecio | Asteraceae | |
| Sechium edule | Sechium | Cucurbitaceae |
 |
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Aglaia dasyclada | Aglaia | Meliaceae | |
| Pyrola media | Pyrola | Ericaceae | |
| Phaseolus coccineus | Phaseolus | Fabaceae |
 |
Ingredient ID: NPC90336
Formula: C29H28O9
Ingredient ID: NPC90336
| Common Name | 1-O-Formylaglafoline |
| IUPAC Name | methyl (1R,2R,3S,3aR,8bS)-1-formyloxy-8b-hydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate |
| Canonical SMILES | O=CO[C@@H]1[C@H](C(=O)OC)[C@H]([C@]2([C@]1(O)c1c(OC)cc(cc1O2)OC)c1ccc(cc1)OC)c1ccccc1 |
| Standard InCHI | InChI=1S/C29H28O9/c1-33-19-12-10-18(11-13-19)29-24(17-8-6-5-7-9-17)23(27(31)36-4)26(37-16-30)28(29,32)25-21(35-3)14-20(34-2)15-22(25)38-29/h5-16,23-24,26,32H,1-4H3/t23-,24-,26-,28+,29+/m1/s1 |
| Standard InCHIKey | HMAGEEKSMOZIOP-IDAMAFBJSA-N |
| Ingredient External Links |
PubChem CID: 10839697 ChEMBL ID: CHEMBL558707 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD99103] Database: NPASS [NPC90336] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Erophaca baetica subsp. baetica | Erophaca | Fabaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Senecio asper | Senecio | Asteraceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Aglaia perviridis | Aglaia | Meliaceae |
|
| Aglaia dasyclada | Aglaia | Meliaceae | |
| Pyrola media | Pyrola | Ericaceae | |
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC73422
Formula: C28H28O8
Ingredient ID: NPC73422
| Common Name | Aglafolin |
| IUPAC Name | methyl (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate |
| Canonical SMILES | COc1ccc(cc1)[C@]12Oc3c([C@]2(O)[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OC)O)c(OC)cc(c3)OC |
| Standard InCHI | InChI=1S/C28H28O8/c1-32-18-12-10-17(11-13-18)28-23(16-8-6-5-7-9-16)22(26(30)35-4)25(29)27(28,31)24-20(34-3)14-19(33-2)15-21(24)36-28/h5-15,22-23,25,29,31H,1-4H3/t22-,23-,25-,27+,28+/m1/s1 |
| Standard InCHIKey | VFTGDXPPYSWBSO-GWNOIRNCSA-N |
| Ingredient External Links |
PubChem CID: 393601 ZINC ID: ZINC000005922875 ChEMBL ID: CHEMBL394528 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC73422] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Erophaca baetica subsp. baetica | Erophaca | Fabaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Senecio asper | Senecio | Asteraceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Aglaia odorata | Aglaia | Meliaceae |
|
| Aglaia rubiginosa | Aglaia | Meliaceae | |
| Aglaia perviridis | Aglaia | Meliaceae |
|
| Aglaia dasyclada | Aglaia | Meliaceae | |
| Pyrola media | Pyrola | Ericaceae | |
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC69127
Formula: C28H28O9
Ingredient ID: NPC69127
| Common Name | n.a. |
| IUPAC Name | methyl (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate |
| Canonical SMILES | COc1cc(OC)c2c(c1)O[C@@]1([C@@]2(O)[C@H](O)[C@@H]([C@H]1c1ccccc1)C(=O)OC)c1ccc(c(c1)O)OC |
| Standard InCHI | InChI=1S/C28H28O9/c1-33-17-13-20(35-3)24-21(14-17)37-28(16-10-11-19(34-2)18(29)12-16)23(15-8-6-5-7-9-15)22(26(31)36-4)25(30)27(24,28)32/h5-14,22-23,25,29-30,32H,1-4H3/t22-,23-,25-,27+,28+/m1/s1 |
| Standard InCHIKey | MKTMWKCGQTXSNC-GWNOIRNCSA-N |
| Ingredient External Links |
PubChem CID: 10815498 ZINC ID: ZINC000014687595 |
| Plant-Ingredient Association Reference |
Database: UNPD [] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC62392
Formula: C18H26N2O3
Ingredient ID: NPC62392
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OCC[C@@H](C(=NCCCCN=C(/C=C/c1ccccc1)O)O)C |
| Standard InCHI | InChI=1S/C18H26N2O3/c1-15(11-14-21)18(23)20-13-6-5-12-19-17(22)10-9-16-7-3-2-4-8-16/h2-4,7-10,15,21H,5-6,11-14H2,1H3,(H,19,22)(H,20,23)/b10-9+/t15-/m0/s1 |
| Standard InCHIKey | AZFOWFPALBQOTD-FEAKQIBJSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD137080] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC295219
Formula: C17H24N2O3
Ingredient ID: NPC295219
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OC[C@@H](C(=NCCCCN=C(/C=C/c1ccccc1)O)O)C |
| Standard InCHI | InChI=1S/C17H24N2O3/c1-14(13-20)17(22)19-12-6-5-11-18-16(21)10-9-15-7-3-2-4-8-15/h2-4,7-10,14,20H,5-6,11-13H2,1H3,(H,18,21)(H,19,22)/b10-9+/t14-/m0/s1 |
| Standard InCHIKey | YDWIIBRQNZACSH-HBWSCVEGSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD60156] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC281034
Formula: C29H28O10
Ingredient ID: NPC281034
| Common Name | n.a. |
| IUPAC Name | methyl (1R,2R,3S,3aR,8bS)-1-formyloxy-8b-hydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate |
| Canonical SMILES | O=CO[C@@H]1[C@H](C(=O)OC)[C@H]([C@]2([C@]1(O)c1c(OC)cc(cc1O2)OC)c1ccc(c(c1)O)OC)c1ccccc1 |
| Standard InCHI | InChI=1S/C29H28O10/c1-34-18-13-21(36-3)25-22(14-18)39-29(17-10-11-20(35-2)19(31)12-17)24(16-8-6-5-7-9-16)23(27(32)37-4)26(38-15-30)28(25,29)33/h5-15,23-24,26,31,33H,1-4H3/t23-,24-,26-,28+,29+/m1/s1 |
| Standard InCHIKey | XPXOKOTZMIKMIQ-IDAMAFBJSA-N |
| Ingredient External Links |
PubChem CID: 10650033 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD42596] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC263955
Formula: C29H26O10
Ingredient ID: NPC263955
| Common Name | Methyl 1-Formyloxy-4'-Demethoxy-3',4'-Methylenedioxyrocaglate |
| IUPAC Name | methyl (1R,2R,3S,3aR,8bS)-3a-(1,3-benzodioxol-5-yl)-1-formyloxy-8b-hydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate |
| Canonical SMILES | O=CO[C@@H]1[C@H](C(=O)OC)[C@H]([C@]2([C@]1(O)c1c(OC)cc(cc1O2)OC)c1ccc2c(c1)OCO2)c1ccccc1 |
| Standard InCHI | InChI=1S/C29H26O10/c1-33-18-12-21(34-2)25-22(13-18)39-29(17-9-10-19-20(11-17)38-15-37-19)24(16-7-5-4-6-8-16)23(27(31)35-3)26(36-14-30)28(25,29)32/h4-14,23-24,26,32H,15H2,1-3H3/t23-,24-,26-,28+,29+/m1/s1 |
| Standard InCHIKey | XKYRDXZNJADCQR-IDAMAFBJSA-N |
| Ingredient External Links |
PubChem CID: 10721063 ChEMBL ID: CHEMBL2331811 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD132112] Database: NPASS [NPC263955] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Aglaia perviridis | Aglaia | Meliaceae |
|
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC23593
Formula: C28H26O9
Ingredient ID: NPC23593
| Common Name | Methyl (1R,2R,3S,3Ar,8Bs)-3A-(1,3-Benzodioxol-5-Yl)-1,8B-Dihydroxy-6,8-Dimethoxy-3-Phenyl-2,3-Dihydro-1H-Cyclopenta[B][1]Benzofuran-2-Carboxylate |
| IUPAC Name | methyl (1R,2R,3S,3aR,8bS)-3a-(1,3-benzodioxol-5-yl)-1,8b-dihydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate |
| Canonical SMILES | COC(=O)[C@@H]1[C@@H](c2ccccc2)[C@]2([C@]([C@@H]1O)(O)c1c(O2)cc(cc1OC)OC)c1ccc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C28H26O9/c1-32-17-12-20(33-2)24-21(13-17)37-28(16-9-10-18-19(11-16)36-14-35-18)23(15-7-5-4-6-8-15)22(26(30)34-3)25(29)27(24,28)31/h4-13,22-23,25,29,31H,14H2,1-3H3/t22-,23-,25-,27+,28+/m1/s1 |
| Standard InCHIKey | SAGBWAVFZFVBBQ-GWNOIRNCSA-N |
| Ingredient External Links |
PubChem CID: 390507 ZINC ID: ZINC000005838849 ChEMBL ID: CHEMBL1986494 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC23593] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Erophaca baetica subsp. baetica | Erophaca | Fabaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Senecio asper | Senecio | Asteraceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Aglaia perviridis | Aglaia | Meliaceae |
|
| Aglaia dasyclada | Aglaia | Meliaceae | |
| Pyrola media | Pyrola | Ericaceae | |
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC189730
Formula: C26H24O7
Ingredient ID: NPC189730
| Common Name | 4'-Demethoxy-3',4'-Methylenedioxyrocaglaol |
| IUPAC Name | (1R,3S,3aR,8bS)-3a-(1,3-benzodioxol-5-yl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol |
| Canonical SMILES | COc1cc2O[C@@]3([C@@](c2c(c1)OC)(O)[C@@H](C[C@H]3c1ccccc1)O)c1ccc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C26H24O7/c1-29-17-11-21(30-2)24-22(12-17)33-26(16-8-9-19-20(10-16)32-14-31-19)18(13-23(27)25(24,26)28)15-6-4-3-5-7-15/h3-12,18,23,27-28H,13-14H2,1-2H3/t18-,23+,25+,26-/m0/s1 |
| Standard InCHIKey | ZPHNJERYFDKEMS-LHVBDCGNSA-N |
| Ingredient External Links |
PubChem CID: 10623340 ChEMBL ID: CHEMBL2332223 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD21925] Database: NPASS [NPC189730] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Aglaia perviridis | Aglaia | Meliaceae |
|
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC184607
Formula: C26H26O6
Ingredient ID: NPC184607
| Common Name | Rocaglaol |
| IUPAC Name | (1R,3S,3aR,8bS)-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol |
| Canonical SMILES | COc1ccc(cc1)[C@]12Oc3c([C@]2(O)[C@@H](C[C@H]1c1ccccc1)O)c(OC)cc(c3)OC |
| Standard InCHI | InChI=1S/C26H26O6/c1-29-18-11-9-17(10-12-18)26-20(16-7-5-4-6-8-16)15-23(27)25(26,28)24-21(31-3)13-19(30-2)14-22(24)32-26/h4-14,20,23,27-28H,15H2,1-3H3/t20-,23+,25+,26-/m0/s1 |
| Standard InCHIKey | RRVZOJQBRVGMMK-HCBGRYSISA-N |
| Ingredient External Links |
PubChem CID: 393602 ChEMBL ID: CHEMBL468454 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD24520] Database: NPASS [NPC184607] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Erophaca baetica subsp. baetica | Erophaca | Fabaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Senecio asper | Senecio | Asteraceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Aglaia odorata | Aglaia | Meliaceae |
|
| Aglaia perviridis | Aglaia | Meliaceae |
|
| Aglaia laxiflora | Aglaia | Meliaceae |
|
| Aglaia dasyclada | Aglaia | Meliaceae | |
| Pyrola media | Pyrola | Ericaceae | |
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC167667
Formula: C29H30O9
Ingredient ID: NPC167667
| Common Name | n.a. |
| IUPAC Name | methyl (1R,2R,3S,3aR,8bS)-3a-(3,4-dimethoxyphenyl)-1,8b-dihydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate |
| Canonical SMILES | COc1cc(OC)c2c(c1)O[C@@]1([C@@]2(O)[C@H](O)[C@@H]([C@H]1c1ccccc1)C(=O)OC)c1ccc(c(c1)OC)OC |
| Standard InCHI | InChI=1S/C29H30O9/c1-33-18-14-21(36-4)25-22(15-18)38-29(17-11-12-19(34-2)20(13-17)35-3)24(16-9-7-6-8-10-16)23(27(31)37-5)26(30)28(25,29)32/h6-15,23-24,26,30,32H,1-5H3/t23-,24-,26-,28+,29+/m1/s1 |
| Standard InCHIKey | OWHOEKLNSDNYTQ-IDAMAFBJSA-N |
| Ingredient External Links |
PubChem CID: 10720804 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD79517] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC164843
Formula: C35H36N2O9
Ingredient ID: NPC164843
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c2OCOc2cc2c1[C@]1(O)C(=O)[C@@H]([C@H]([C@@]1(O2)c1ccc(cc1)OC)c1ccccc1)C(=O)N1CCC[C@@H]1N=C(C(C)C)O |
| Standard InCHI | InChI=1S/C35H36N2O9/c1-19(2)32(39)36-25-11-8-16-37(25)33(40)26-27(20-9-6-5-7-10-20)35(21-12-14-22(42-3)15-13-21)34(41,31(26)38)28-23(46-35)17-24-29(30(28)43-4)45-18-44-24/h5-7,9-10,12-15,17,19,25-27,41H,8,11,16,18H2,1-4H3,(H,36,39)/t25-,26-,27-,34+,35+/m1/s1 |
| Standard InCHIKey | BJIDEXYWQKFHOB-QPRNYPETSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD67667] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Ingredient ID: NPC136275
Formula: C30H28O10
Ingredient ID: NPC136275
| Common Name | n.a. |
| IUPAC Name | methyl (1R,2R,3S,3aR,8bS)-1-acetyloxy-3a-(1,3-benzodioxol-5-yl)-8b-hydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate |
| Canonical SMILES | COC(=O)[C@@H]1[C@@H](c2ccccc2)[C@]2([C@]([C@@H]1OC(=O)C)(O)c1c(O2)cc(cc1OC)OC)c1ccc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C30H28O10/c1-16(31)39-27-24(28(32)36-4)25(17-8-6-5-7-9-17)30(18-10-11-20-21(12-18)38-15-37-20)29(27,33)26-22(35-3)13-19(34-2)14-23(26)40-30/h5-14,24-25,27,33H,15H2,1-4H3/t24-,25-,27-,29+,30+/m1/s1 |
| Standard InCHIKey | LKTVHWYLAFQHAX-KKPOPCGDSA-N |
| Ingredient External Links |
PubChem CID: 10697870 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD85860] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pinus yunnanensis | Pinus | Pinaceae | |
| Duguetia chrysocarpa | Duguetia | Annonaceae | |
| Sechium edule | Sechium | Cucurbitaceae |
|
| Ammodendron karelinii | Ammodendron | Fabaceae | |
| Citrus japonica | Citrus | Rutaceae |
|
| Phaseolus coccineus | Phaseolus | Fabaceae |
|
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NPC136275 | C30H28O10 | methyl (1R,2R,3S,3aR,8bS)-1-acetyloxy-3a-(1,3-benzodioxol-5-yl)-8b-hydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate | 548.1682471 | -1.9865 | 3.66 | 4.761 | 5 | 1 | 118.98 | 8 | 6 | 40 | 0 |
| NPC164843 | C35H36N2O9 | 628.2420807 | -3.0993 | 4.1 | 4.931 | 6 | 2 | 136.35 | 8 | 7 | 46 | 0 | |
| NPC167667 | C29H30O9 | methyl (1R,2R,3S,3aR,8bS)-3a-(3,4-dimethoxyphenyl)-1,8b-dihydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate | 522.1889825 | -2.1665 | 3.66 | 4.952 | 4 | 2 | 112.91 | 8 | 5 | 38 | 0 |
| NPC184607 | C26H26O6 | Rocaglaol | 434.17 | -1.629 | 3.66 | 5.594 | 2 | 2 | 77.38 | 10 | 5 | 32 | 1 |
| NPC189730 | C26H24O7 | 4'-Demethoxy-3',4'-Methylenedioxyrocaglaol | 448.15 | -1.8799 | 3.55 | 5.077 | 2 | 2 | 86.61 | 8 | 6 | 33 | 1 |
| NPC23593 | C28H26O9 | Methyl (1R,2R,3S,3Ar,8Bs)-3A-(1,3-Benzodioxol-5-Yl)-1,8B-Dihydroxy-6,8-Dimethoxy-3-Phenyl-2,3-Dihydro-1H-Cyclopenta[B][1]Benzofuran-2-Carboxylate | 506.16 | -2.3656 | 3.55 | 4.879 | 4 | 2 | 112.91 | 11 | 6 | 37 | 0 |
| NPC263955 | C29H26O10 | Methyl 1-Formyloxy-4'-Demethoxy-3',4'-Methylenedioxyrocaglate | 534.15 | -2.0653 | 3.55 | 4.525 | 5 | 1 | 118.98 | 12 | 6 | 39 | 0 |
| NPC281034 | C29H28O10 | methyl (1R,2R,3S,3aR,8bS)-1-formyloxy-8b-hydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate | 536.1682471 | -2.2747 | 3.55 | 4.079 | 5 | 2 | 129.98 | 9 | 5 | 39 | 0 |
| NPC295219 | C17H24N2O3 | 304.1786926 | -0.9572 | 2.78 | 4.16 | 5 | 3 | 85.41 | 9 | 1 | 22 | 0 | |
| NPC62392 | C18H26N2O3 | 318.1943427 | -1.2452 | 2.89 | 4.518 | 5 | 3 | 85.41 | 10 | 1 | 23 | 0 | |
| NPC69127 | C28H28O9 | methyl (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate | 508.1733325 | -2.575 | 3.55 | 4.433 | 4 | 3 | 123.91 | 7 | 5 | 37 | 0 |
| NPC73422 | C28H28O8 | Aglafolin | 492.18 | -2.1147 | 3.66 | 5.396 | 4 | 2 | 103.68 | 13 | 5 | 36 | 1 |
| NPC90336 | C29H28O9 | 1-O-Formylaglafoline | 520.17 | -1.8144 | 3.66 | 5.042 | 5 | 1 | 109.75 | 14 | 5 | 38 | 1 |
| NPC94355 | C18H24N2O3 | (E)-4-hydroxy-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide | 316.1786926 | -0.3378 | 2.89 | 4.495 | 5 | 3 | 85.41 | 9 | 1 | 23 | 0 |
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
→ Then click the download button.
