Ingredient ID: NPC94488
Formula: C19H30O4
Common Name | n.a. |
IUPAC Name | 5-ethoxy-2-hydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione |
Canonical SMILES | CCCCCCCCCCCC1=C(O)C(=O)C=C(C1=O)OCC |
Standard InCHI | InChI=1S/C19H30O4/c1-3-5-6-7-8-9-10-11-12-13-15-18(21)16(20)14-17(19(15)22)23-4-2/h14,21H,3-13H2,1-2H3 |
Standard InCHIKey | BKAZNQWWINLHDW-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 10358776 ZINC ID: ZINC000044387225 |
Plant-Ingredient Association Reference |
ELECTRON J FOOD PLANTS CHEM,2007,2: 20 Database: NPASS [NPC94488] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Embelia ribes | Embelia | Primulaceae | |
Aegiceras corniculatum | Aegiceras | Primulaceae | |
Embelia schimperi | Embelia | Primulaceae | |
Myrsine africana | Myrsine | Primulaceae |
Ingredient ID: NPC93334
Formula: C36H52O7
Common Name | n.a. |
IUPAC Name | 2,7-dihydroxy-9-methyl-3,6-di(undecyl)-9H-xanthene-1,4,5,8-tetrone |
Canonical SMILES | CCCCCCCCCCCC1=C(O)C(=O)C2=C(C1=O)OC1=C(C2C)C(=O)C(=C(C1=O)CCCCCCCCCCC)O |
Standard InCHI | InChI=1S/C36H52O7/c1-4-6-8-10-12-14-16-18-20-22-25-29(37)33(41)27-24(3)28-34(42)30(38)26(32(40)36(28)43-35(27)31(25)39)23-21-19-17-15-13-11-9-7-5-2/h24,37-38H,4-23H2,1-3H3 |
Standard InCHIKey | PSIOYNVYDPZURD-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 101762593 ZINC ID: ZINC000086039337 |
Plant-Ingredient Association Reference |
Database: TCMID [14133] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Myrsine africana | Myrsine | Primulaceae |
Ingredient ID: NPC90411
Formula: C9H8O4
Common Name | Sid22414536 |
IUPAC Name | 7-hydroxy-5-methoxy-3H-2-benzofuran-1-one |
Canonical SMILES | COc1cc(O)c2c(c1)COC2=O |
Standard InCHI | InChI=1S/C9H8O4/c1-12-6-2-5-4-13-9(11)8(5)7(10)3-6/h2-3,10H,4H2,1H3 |
Standard InCHIKey | DQVAVEZQPWBKEW-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 181107 ChEMBL ID: CHEMBL507369 |
Plant-Ingredient Association Reference |
PMID: 2778455 Database: NPASS [NPC90411] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Myrsine africana | Myrsine | Primulaceae |
Ingredient ID: NPC86143
Formula: C21H20O11
Common Name | n.a. |
IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
Canonical SMILES | OC[C@@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@H]([C@@H]([C@H]1O)O)O |
Standard InCHI | InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21-/m0/s1 |
Standard InCHIKey | JPUKWEQWGBDDQB-YSBXYMAXSA-N |
Ingredient External Links |
PubChem CID: 72551446 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD3825] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Myrsine africana | Myrsine | Primulaceae |
Ingredient ID: NPC72471
Formula: C36H54O8
Common Name | n.a. |
IUPAC Name | 2-[1-(2,5-dihydroxy-3,6-dioxo-4-undecylcyclohexa-1,4-dien-1-yl)ethyl]-3,6-dihydroxy-5-undecylcyclohexa-2,5-diene-1,4-dione |
Canonical SMILES | CCCCCCCCCCCC1=C(O)C(=O)C(=C(C1=O)O)C(C1=C(O)C(=O)C(=C(C1=O)O)CCCCCCCCCCC)C |
Standard InCHI | InChI=1S/C36H54O8/c1-4-6-8-10-12-14-16-18-20-22-25-29(37)33(41)27(34(42)30(25)38)24(3)28-35(43)31(39)26(32(40)36(28)44)23-21-19-17-15-13-11-9-7-5-2/h24,37,39,42,44H,4-23H2,1-3H3 |
Standard InCHIKey | DHSDUZQMIDNCKR-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 21576542 ZINC ID: ZINC000086052528 |
Plant-Ingredient Association Reference |
Database: TCMID [14801] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Myrsine africana | Myrsine | Primulaceae |
Ingredient ID: NPC53810
Formula: C54H88O23
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O)O)O)C(=O)O)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC[C@]34[C@@]2(C)C[C@H]([C@@]2([C@H]4CC(C)(C)CC2)CO3)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O |
Standard InCHI | InChI=1S/C54H88O23/c1-22-30(58)33(61)36(64)44(70-22)76-41-35(63)32(60)24(20-56)72-46(41)74-39-38(66)40(43(67)68)75-47(42(39)77-45-37(65)34(62)31(59)23(19-55)71-45)73-29-11-12-50(6)25(49(29,4)5)9-13-51(7)26(50)10-14-54-27-17-48(2,3)15-16-53(27,21-69-54)28(57)18-52(51,54)8/h22-42,44-47,55-66H,9-21H2,1-8H3,(H,67,68)/t22-,23+,24+,25-,26+,27+,28+,29-,30-,31+,32-,33+,34-,35-,36+,37+,38-,39-,40-,41+,42+,44-,45-,46-,47+,50-,51+,52-,53+,54-/m0/s1 |
Standard InCHIKey | DQUUSJCGJNQFPG-CBMAJASRSA-N |
Ingredient External Links |
PubChem CID: 49787015 |
Plant-Ingredient Association Reference |
Database: TCMID [17845] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Lysimachia clethroides | Lysimachia | Primulaceae | |
Myrsine africana | Myrsine | Primulaceae |
Ingredient ID: NPC4437
Formula: C14H10OS
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | C=CC#CC#C/C=C(/[S@](=O)C)C#CC#CC |
Standard InCHI | InChI=1S/C14H10OS/c1-4-6-8-9-11-13-14(16(3)15)12-10-7-5-2/h4,13H,1H2,2-3H3/b14-13+/t16-/m1/s1 |
Standard InCHIKey | HDLFDRNEHPOIHC-FIFPYPGSSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD141655] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Trachycarpus fortunei | Trachycarpus | Arecaceae | |
Myrsine africana | Myrsine | Primulaceae |
Ingredient ID: NPC416
Formula: C15H10O5
Common Name | n.a. |
IUPAC Name | 1,2,8-trihydroxy-3-methylanthracene-9,10-dione |
Canonical SMILES | Oc1cccc2c1C(=O)c1c(C2=O)cc(c(c1O)O)C |
Standard InCHI | InChI=1S/C15H10O5/c1-6-5-8-11(15(20)12(6)17)14(19)10-7(13(8)18)3-2-4-9(10)16/h2-5,16-17,20H,1H3 |
Standard InCHIKey | CQNVSNFEXPKHGW-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 442759 ZINC ID: ZINC000004098690 |
Plant-Ingredient Association Reference |
PMID: 2778455 Database: NPASS [NPC416] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Myrsine africana | Myrsine | Primulaceae | |
Nelumbo nucifera | Nelumbo | Nelumbonaceae | |
Annona glabra | Annona | Annonaceae |
Ingredient ID: NPC308404
Formula: C21H20O12
Common Name | n.a. |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
Canonical SMILES | OC[C@@H]1O[C@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@H]([C@@H]([C@@H]1O)O)O |
Standard InCHI | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m0/s1 |
Standard InCHIKey | OVSQVDMCBVZWGM-STUVATENSA-N |
Ingredient External Links |
PubChem CID: 12304330 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD73469] Database: NPASS [NPC308404] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Cuscuta chinensis | Cuscuta | Convolvulaceae | |
Myrsine africana | Myrsine | Primulaceae | |
Cuscuta australis | Cuscuta | Convolvulaceae |
Ingredient ID: NPC267205
Formula: C15H12O4
Common Name | Emodin Anthrone |
IUPAC Name | 1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one |
Canonical SMILES | Cc1cc2Cc3cc(O)cc(c3C(=O)c2c(c1)O)O |
Standard InCHI | InChI=1S/C15H12O4/c1-7-2-8-4-9-5-10(16)6-12(18)14(9)15(19)13(8)11(17)3-7/h2-3,5-6,16-18H,4H2,1H3 |
Standard InCHIKey | LAJSXCAVRQXZIO-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 122635 ChEMBL ID: CHEMBL122192 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC267205] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Magnolia figo | Michelia | Magnoliaceae | |
Polygonum cuspidatum | Polygonum | Polygonaceae | |
Senna occidentalis | Senna | Fabaceae | |
Rumex crispus | Rumex | Polygonaceae | |
Rhamnus davurica | Rhamnus | Rhamnaceae | |
Fridericia triplinervia | Fridericia | Bignoniaceae | |
Rheum wittrocki | Rheum | Polygonaceae | |
Artemisia scoparia | Artemisia | Asteraceae | |
Garcinia polyantha | Garcinia | Clusiaceae | |
Rheum officinale | Rheum | Polygonaceae | |
Epimedium koreanum | Epimedium | Berberidaceae | |
Myrsine africana | Myrsine | Primulaceae | |
Rumex dentatus | Rumex | Polygonaceae | |
Rumex japonicus | Rumex | Polygonaceae | |
Baccharis potosina | Baccharis | Asteraceae | |
Maclura tinctoria | Maclura | Moraceae | |
Stevia berlandieri | Stevia | Asteraceae | |
Ravenia spectabilis | Ravenia | Rutaceae | |
Rheum palmatum | Rheum | Polygonaceae | |
Fallopia multiflora | Fallopia | Polygonaceae | |
Cassia occidentalis | Cassia | Fabaceae | |
Rhamnus frangula | Frangula | Rhamnaceae | |
Cassia tora | Cassia | Fabaceae | |
Frangula purshiana | Frangula | Rhamnaceae | |
Cranfillia fluviatilis | Cranfillia | Blechnaceae | |
Rumex nepalensis | Rumex | Polygonaceae | |
Persicaria perfoliata | Persicaria | Polygonaceae | |
Rheum tanguticum | Rheum | Polygonaceae | |
Senna tora | Senna | Fabaceae |
Ingredient ID: NPC257566
Formula: C29H34O14
Common Name | n.a. |
IUPAC Name | 6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one |
Canonical SMILES | OC[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O[C@H]1O[C@H](C)[C@H]([C@@H]([C@@H]1O)O)O)c1c(OC)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)OC |
Standard InCHI | InChI=1S/C29H34O14/c1-11-21(32)24(35)26(37)29(40-11)43-28-25(36)22(33)18(10-30)42-27(28)20-16(39-3)9-17-19(23(20)34)14(31)8-15(41-17)12-4-6-13(38-2)7-5-12/h4-9,11,18,21-22,24-30,32-37H,10H2,1-3H3/t11-,18-,21-,22-,24+,25+,26+,27-,28-,29-/m1/s1 |
Standard InCHIKey | OXTGLFRGBDFBHI-JUWPCJOESA-N |
Ingredient External Links |
PubChem CID: 44559811 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC257566] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Iris tectorum | Iris | Iridaceae | |
Embelia ribes | Embelia | Primulaceae | |
Aegiceras corniculatum | Aegiceras | Primulaceae | |
Myrsine africana | Myrsine | Primulaceae | |
Ardisia crenata | Ardisia | Primulaceae | |
Clematis chinensis | Clematis | Ranunculaceae | |
Iris domestica | Iris | Iridaceae |
Ingredient ID: NPC254848
Formula: C15H10O5
Common Name | n.a. |
IUPAC Name | 3,8-dihydroxy-6-methyl-9,10-dioxoanthracen-1-olate |
Canonical SMILES | [O-]c1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C |
Standard InCHI | InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3/p-1 |
Standard InCHIKey | RHMXXJGYXNZAPX-UHFFFAOYSA-M |
Ingredient External Links |
PubChem CID: 25201450 |
Plant-Ingredient Association Reference |
Database: TCMID [6775] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Dolomiaea souliei | Dolomiaea | Asteraceae | |
Sargentodoxa cuneata | Sargentodoxa | Lardizabalaceae | |
Hedera helix | Hedera | Araliaceae | |
Rubus alceifolius | Rubus | Rosaceae | |
Polygonum cuspidatum | Polygonum | Polygonaceae | |
Senna occidentalis | Senna | Fabaceae | |
Rheum australe | Rheum | Polygonaceae | |
Rumex crispus | Rumex | Polygonaceae | |
Rhamnus davurica | Rhamnus | Rhamnaceae | |
Rumex patientia | Rumex | Polygonaceae | |
Dioscorea collettii var. hypoglauca | Dioscorea | Dioscoreaceae | |
Codonopsis pilosula | Codonopsis | Campanulaceae | |
Rheum wittrocki | Rheum | Polygonaceae | |
Artemisia scoparia | Artemisia | Asteraceae | |
Senecio scandens | Senecio | Asteraceae | |
Rheum officinale | Rheum | Polygonaceae | |
Epimedium koreanum | Epimedium | Berberidaceae | |
Myrsine africana | Myrsine | Primulaceae | |
Ventilago leiocarpa | Ventilago | Rhamnaceae | |
Rumex dentatus | Rumex | Polygonaceae | |
Abrus pulchellus | Abrus | Fabaceae | |
Rumex japonicus | Rumex | Polygonaceae | |
Fagopyrum esculentum | Fagopyrum | Polygonaceae | |
Anemarrhena asphodeloides | Anemarrhena | Asparagaceae | |
Carapichea ipecacuanha | Carapichea | Rubiaceae | |
Rheum palmatum | Rheum | Polygonaceae | |
Oplopanax elatus | Oplopanax | Araliaceae | |
Fallopia multiflora | Fallopia | Polygonaceae | |
Rumex nepalensis | Rumex | Polygonaceae | |
Persicaria perfoliata | Persicaria | Polygonaceae | |
Vismia orientalis | Vismia | Hypericaceae | |
Rheum tanguticum | Rheum | Polygonaceae | |
Senna tora | Senna | Fabaceae | |
Senna obtusifolia | Senna | Fabaceae |
Ingredient ID: NPC243272
Formula: C18H28O4
Common Name | 5-O-Methylembelin |
IUPAC Name | 2-hydroxy-5-methoxy-3-undecylcyclohexa-2,5-diene-1,4-dione |
Canonical SMILES | CCCCCCCCCCCC1=C(O)C(=O)C=C(C1=O)OC |
Standard InCHI | InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3 |
Standard InCHIKey | KHBJLRRAMCJZLZ-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 171489 ZINC ID: ZINC000008234343 ChEMBL ID: CHEMBL471270 |
Plant-Ingredient Association Reference |
ELECTRON J FOOD PLANTS CHEM,2007,2: 20 Database: NPASS [NPC243272] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Embelia ribes | Embelia | Primulaceae | |
Aegiceras corniculatum | Aegiceras | Primulaceae | |
Embelia schimperi | Embelia | Primulaceae | |
Myrsine africana | Myrsine | Primulaceae |
Ingredient ID: NPC23140
Formula: C16H19NO6
Common Name | n.a. |
IUPAC Name | 7-(2,3-dihydroxy-3-methylbutyl)-6-methoxy-9H-[1,3]dioxolo[4,5-h]quinolin-8-one |
Canonical SMILES | COc1c(CC(C(O)(C)C)O)c(O)nc2c1ccc1c2OCO1 |
Standard InCHI | InChI=1S/C16H19NO6/c1-16(2,20)11(18)6-9-13(21-3)8-4-5-10-14(23-7-22-10)12(8)17-15(9)19/h4-5,11,18,20H,6-7H2,1-3H3,(H,17,19) |
Standard InCHIKey | FDPMWTPQUHILQG-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 6325747 |
Plant-Ingredient Association Reference |
Database: TCMID [15776] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Myrsine africana | Myrsine | Primulaceae | |
Orixa japonica | Orixa | Rutaceae |
Ingredient ID: NPC158662
Formula: C30H50O3
Common Name | n.a. |
IUPAC Name | (3S,4aR,6aR,6bS,8R,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol |
Canonical SMILES | OC[C@@]12CCC(C[C@H]2C2=CC[C@H]3[C@@]([C@@]2(C[C@H]1O)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)(C)C |
Standard InCHI | InChI=1S/C30H50O3/c1-25(2)14-15-30(18-31)20(16-25)19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)29(19,7)17-24(30)33/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21-,22+,23-,24+,27-,28+,29+,30+/m0/s1 |
Standard InCHIKey | YHGVYECWZWIVJC-TVZJSHMMSA-N |
Ingredient External Links |
PubChem CID: 10004345 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC158662] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Lepisorus thunbergianus | Lepisorus | Polypodiaceae | |
Lysimachia clethroides | Lysimachia | Primulaceae | |
Rhododendron aureum | Rhododendron | Ericaceae | |
Myrsine africana | Myrsine | Primulaceae |
Ingredient ID: NPC156788
Formula: C14H10OS
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | C=CC#CC#C/C=C([S@](=O)C)/C#CC#CC |
Standard InCHI | InChI=1S/C14H10OS/c1-4-6-8-9-11-13-14(16(3)15)12-10-7-5-2/h4,13H,1H2,2-3H3/b14-13-/t16-/m1/s1 |
Standard InCHIKey | HDLFDRNEHPOIHC-OMACXJQVSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD19822] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Myrsine africana | Myrsine | Primulaceae |
Ingredient ID: NPC145571
Formula: C21H20O12
Common Name | n.a. |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
Canonical SMILES | OC[C@@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@H]([C@@H]([C@H]1O)O)O |
Standard InCHI | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21-/m0/s1 |
Standard InCHIKey | OVSQVDMCBVZWGM-YSBXYMAXSA-N |
Ingredient External Links |
PubChem CID: 5318574 ZINC ID: ZINC000013424725 |
Plant-Ingredient Association Reference |
Database: UNPD [] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Myrsine africana | Myrsine | Primulaceae |
Ingredient ID: NPC143168
Formula: C17H26O4
Common Name | Embelin |
IUPAC Name | 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione |
Canonical SMILES | CCCCCCCCCCCC1=C(O)C(=O)C=C(C1=O)O |
Standard InCHI | InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3 |
Standard InCHIKey | IRSFLDGTOHBADP-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 3218 ZINC ID: ZINC000001531764 ChEMBL ID: CHEMBL221137 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC143168] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Myrsine capitellata | Myrsine | Primulaceae | |
Rapanea neurophylla | Rapanea | Primulaceae | |
Embelia ribes | Embelia | Primulaceae | |
Ipomoea nil | Ipomoea | Convolvulaceae | |
Aegiceras corniculatum | Aegiceras | Primulaceae | |
Myrsine africana | Myrsine | Primulaceae | |
Ardisia crenata | Ardisia | Primulaceae | |
Ardisia japonica | Ardisia | Primulaceae | |
Clematis chinensis | Clematis | Ranunculaceae | |
Embelia barbeyana | Embelia | Primulaceae |
Ingredient ID: NPC133671
Formula: C21H20O11
Common Name | Astragalin |
IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
Canonical SMILES | OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O |
Standard InCHI | InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1 |
Standard InCHIKey | JPUKWEQWGBDDQB-QSOFNFLRSA-N |
Ingredient External Links |
PubChem CID: 5282102 ZINC ID: ZINC000004102435 ChEMBL ID: CHEMBL233930 |
Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC133671] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Echium pininana | Echium | Boraginaceae | |
Mitracarpus scaber | Mitracarpus | Rubiaceae | |
Tropaeolum majus | Tropaeolum | Tropaeolaceae | |
Fragaria x ananassa | Fragaria | Rosaceae | |
Ipomoea digitata | Ipomoea | Convolvulaceae | |
Periploca calophylla | Periploca | Apocynaceae | |
Artemisia apiacea | Artemisia | Asteraceae | |
Ixeris chinensis | Ixeris | Asteraceae | |
Allagopappus viscosissimus | Allagopappus | Asteraceae | |
Asteriscus aquaticus | Asteriscus | Asteraceae | |
Syncarpia hillii | Syncarpia | Myrtaceae | |
Passiflora edulis | Passiflora | Passifloraceae | |
Dipsacus asper | Dipsacus | Caprifoliaceae | |
Cinnamomum subavenium | Cinnamomum | Lauraceae | |
Sinopodophyllum hexandrum | Sinopodophyllum | Berberidaceae | |
Eupatorium petiolare | Eupatorium | Asteraceae | |
Annona cornifolia | Annona | Annonaceae | |
Moringa oleifera | Moringa | Moringaceae | |
Coutarea latifolia | Coutarea | Rubiaceae | |
Ratibida mexicana | Ratibida | Asteraceae | |
Centella asiatica | Centella | Apiaceae | |
Impatiens balsamina | Impatiens | Balsaminaceae | |
Rivina humilis | Rivina | Petiveriaceae | |
Pseudowintera colorata | Pseudowintera | Winteraceae | |
Chelidonium majus | Chelidonium | Papaveraceae | |
Duguetia calycina | Duguetia | Annonaceae | |
Astragalus spinosus | Astragalus | Fabaceae | |
Salvia syriaca | Salvia | Lamiaceae | |
Phebalium dentatum | Phebalium | Rutaceae | |
Solanum laxum | Solanum | Solanaceae | |
Ecballium elaterium | Ecballium | Cucurbitaceae | |
Citrus hassaku | Citrus | Rutaceae | |
Swertia decussata | Swertia | Gentianaceae | |
Capparis ovata | Capparis | Capparaceae | |
Croton montevidensis | Croton | Euphorbiaceae | |
Petrorhagia dubia | Petrorhagia | Caryophyllaceae | |
Lemaireocereus griseus | Lemaireocereus | Cactaceae | |
Peltogyne pubescens | Peltogyne | Fabaceae | |
Peltogyne porphyrocardia | Peltogyne | Fabaceae | |
Vepris nobilis | Vepris | Rutaceae | |
Ranunculus peltatus | Ranunculus | Ranunculaceae | |
Datisca glomerata | Datisca | Datiscaceae | |
Hydrangea serrata | Hydrangea | Hydrangeaceae | |
Eriostemon spicatus | Eriostemon | Rutaceae | |
Quercus imbricaria | Quercus | Fagaceae | |
Cneorum pulverulentum | Cneorum | Rutaceae | |
Euphorbia sieboldiana | Euphorbia | Euphorbiaceae | |
Phalaris canariensis | Phalaris | Poaceae | |
Dioscorea olfersiana | Dioscorea | Dioscoreaceae | |
Lunularia cruciata | Lunularia | Lunulariaceae | |
Cassine papillosa | Cassine | Celastraceae | |
Diospyros eriantha | Diospyros | Ebenaceae | |
Eucalyptus melliodora | Eucalyptus | Myrtaceae | |
Alkanna cappadocica | Alkanna | Boraginaceae | |
Jacaranda chelonia | Jacaranda | Bignoniaceae | |
Thymus quinquecostatus | Thymus | Lamiaceae | |
Onobrychis cyri | Onobrychis | Fabaceae | |
Payena lucida | Payena | Sapotaceae | |
Artemisia dentata | Artemisia | Asteraceae | |
Pteridium aquilinum | Pteridium | Dennstaedtiaceae | |
Crepidiastrum sonchifolium | Crepidiastrum | Asteraceae | |
Garcinia xipshuanbannaensis | Garcinia | Clusiaceae | |
Scutellaria amoena | Scutellaria | Lamiaceae | |
Salvia hispanica | Salvia | Lamiaceae | |
Goniothalamus malayanus | Goniothalamus | Annonaceae | |
Scorzonera pseudodivaricata | Scorzonera | Asteraceae | |
Rapanea lancifolia | Rapanea | Primulaceae | |
Pastinaca sativa | Pastinaca | Apiaceae | |
Ononis vaginalis | Ononis | Fabaceae | |
Nepeta multifida | Nepeta | Lamiaceae | |
Eremostachys moluccelloides | Eremostachys | Lamiaceae | |
Cucumis myriocarpus | Cucumis | Cucurbitaceae | |
Humulus lupulus | Humulus | Cannabaceae | |
Caulerpa serrulata | Caulerpa | Caulerpaceae | |
Corydalis ochotensis | Corydalis | Papaveraceae | |
Leonurus persicus | Leonurus | Lamiaceae | |
Acnistus breviflorus | Acnistus | Solanaceae | |
Delphinium shawurense | Delphinium | Ranunculaceae | |
Lespedeza davidii | Lespedeza | Fabaceae | |
Lysimachia mauritiana | Lysimachia | Primulaceae | |
Oxalis purpurea | Oxalis | Oxalidaceae | |
Lathyrus nissolia | Lathyrus | Fabaceae | |
Swertia franchetiana | Swertia | Gentianaceae | |
Hippeastrum papilio | Hippeastrum | Amaryllidaceae | |
Lonicera japonica | Lonicera | Caprifoliaceae | |
Gutierrezia lucida | Gutierrezia | Asteraceae | |
Helipterum roseum | Helipterum | Asteraceae | |
Rosa rugosa | Rosa | Rosaceae | |
Helichrysum graveolens | Helichrysum | Asteraceae | |
Phalaenopsis schilleriana | Phalaenopsis | Orchidaceae | |
Magnolia sieboldii | Magnolia | Magnoliaceae | |
Hedysarum connatum | Hedysarum | Fabaceae | |
Habropetalum dawei | Habropetalum | Dioncophyllaceae | |
Euonymus japonicus | Euonymus | Celastraceae | |
Zanthoxylum tetraspermum | Zanthoxylum | Rutaceae | |
Mitragyna speciosa | Mitragyna | Rubiaceae | |
Convallaria majalis | Convallaria | Asparagaceae | |
Astragalus mongholicus | Astragalus | Fabaceae | |
Artemisia assoana | Artemisia | Asteraceae | |
Hunteria zeylanica | Hunteria | Apocynaceae | |
Glycyrrhiza | Glycyrrhiza | Fabaceae | |
Onobrychis bobrovii | Onobrychis | Fabaceae | |
Peltophorum dasyrhachis | Peltophorum | Fabaceae | |
Dumortiera hirsuta | Dumortiera | Dumortieraceae | |
Cuscuta chinensis | Cuscuta | Convolvulaceae | |
Apocynum venetum | Apocynum | Apocynaceae | |
Morus bombycis | Morus | Moraceae | |
Rhodiola rosea | Rhodiola | Crassulaceae | |
Lepisorus ussuriensis | Lepisorus | Polypodiaceae | |
Pyrrosia lingua | Pyrrosia | Polypodiaceae | |
Iberis amara | Iberis | Brassicaceae | |
Alstonia spathulata | Alstonia | Apocynaceae | |
Diospyros verrucosa | Diospyros | Ebenaceae | |
Phoebe pittieri | Phoebe | Lauraceae | |
Sophora tometosa | Sophora | Fabaceae | |
Codonopsis pilosula | Codonopsis | Campanulaceae | |
Glinus lotoides | Glinus | Molluginaceae | |
Eucommia ulmoides | Eucommia | Eucommiaceae | |
Hypericum laricifolium | Hypericum | Hypericaceae | |
Cichorium glandulosum | Cichorium | Asteraceae | |
Aster oharai | Aster | Asteraceae | |
Glycyrrhiza inflata | Glycyrrhiza | Fabaceae | |
Vitis vinifera | Vitis | Vitaceae | |
Adiantum lunulatum | Adiantum | Pteridaceae | |
Albizia inundata | Albizia | Fabaceae | |
Ipomopsis polycladon | Ipomopsis | Polemoniaceae | |
Prumnopitys ferruginoides | Prumnopitys | Podocarpaceae | |
Peltostigma guatemalense | Peltostigma | Rutaceae | |
Prunella vulgaris | Prunella | Lamiaceae | |
Ribes nigrum | Ribes | Grossulariaceae | |
Acacia adunca | Acacia | Fabaceae | |
Rabdosia angustifolia | Isodon | Lamiaceae | |
Viguiera incana | Viguiera | Asteraceae | |
Heliotropium amplexicaule | Heliotropium | Heliotropiaceae | |
Hymenaea courbaril | Hymenaea | Fabaceae | |
Astragalus sempervirens | Astragalus | Fabaceae | |
Attalea excelsa | Attalea | Arecaceae | |
Inula britannica | Inula | Asteraceae | |
Marrubium anisodon | Marrubium | Lamiaceae | |
Tipuana tipu | Tipuana | Fabaceae | |
Wikstroemia retusa | Wikstroemia | Thymelaeaceae | |
Berberis repens | Berberis | Berberidaceae | |
Agrimonia pilosa | Agrimonia | Rosaceae | |
Naucleopsis ternstroemiiflora | Naucleopsis | Moraceae | |
Acacia pruinosa | Acacia | Fabaceae | |
Rosa chinensis | Rosa | Rosaceae | |
Cycas beddomei | Cycas | Cycadaceae | |
Guarea trichilioides | Guarea | Meliaceae | |
Diospyros kaki | Diospyros | Ebenaceae | |
Dalbergia sissoo | Dalbergia | Fabaceae | |
Carthamus tinctorius | Carthamus | Asteraceae | |
Atalantia racemosa | Atalantia | Rutaceae | |
Papaver tatricum | Papaver | Papaveraceae | |
Ligusticum sinense | Ligusticum | Apiaceae | |
Tamarix aphylla | Tamarix | Tamaricaceae | |
Agrostis epigeios | Agrostis | Poaceae | |
Astragalus goktschaicus | Astragalus | Fabaceae | |
Thymus vulgaris | Thymus | Lamiaceae | |
Lygodium japonicum | Lygodium | Lygodiaceae | |
Tilia miqueliana | Tilia | Malvaceae | |
Vicia benghalensis | Vicia | Fabaceae | |
Penstemon gentianoides | Penstemon | Plantaginaceae | |
Centaurea sinaica | Centaurea | Asteraceae | |
Decaisnea fargesii | Decaisnea | Lardizabalaceae | |
Phyllanthus oligospermus | Phyllanthus | Phyllanthaceae | |
Eucalyptus staigeriana | Eucalyptus | Myrtaceae | |
Callerya cinerea | Callerya | Fabaceae | |
Athanasia crithmifolia | Athanasia | Asteraceae | |
Astragalus complanatus | Astragalus | Fabaceae | |
Hylocereus ocamponis | Hylocereus | Cactaceae | |
Atractylodes macrocephala | Atractylodes | Asteraceae | |
Patrinia scabiosifolia | Patrinia | Caprifoliaceae | |
Sasa paniculata | Sasa | Poaceae | |
Sedum forsteri | Sedum | Crassulaceae | |
Syzygium samarangense | Syzygium | Myrtaceae | |
Crotalaria lachnophora | Crotalaria | Fabaceae | |
Populus angustifolia | Populus | Salicaceae | |
Rubus adenotrichos | Rubus | Rosaceae | |
Iodes cirrhosa | Iodes | Icacinaceae | |
Smilax bracteata | Smilax | Smilacaceae | |
Scilla dracomontana | Scilla | Hyacinthaceae | |
Buddleja cordata | Buddleja | Scrophulariaceae | |
Commiphora abyssinica | Commiphora | Burseraceae | |
Cnidium officinale | Cnidium | Apiaceae | |
Peperomia proctorii | Peperomia | Piperaceae | |
Miliusa sinensis | Miliusa | Annonaceae | |
Perovskia abrotanoides | Salvia | Lamiaceae | |
Lasiosiphon kraussianus | Lasiosiphon | Thymelaeaceae | |
Aframomum sulcatum | Aframomum | Zingiberaceae | |
Angelica pubescens | Angelica | Apiaceae | |
Morinda morindoides | Morinda | Rubiaceae | |
Clematis tangutica | Clematis | Ranunculaceae | |
Angylocalyx braunii | Angylocalyx | Fabaceae | |
Lens culinaris | Lens | Fabaceae | |
Mitrephora diversifolia | Mitrephora | Annonaceae | |
Populus ussuriensis | Populus | Salicaceae | |
Sedum litoreum | Sedum | Crassulaceae | |
Xanthosoma violaceum | Xanthosoma | Araceae | |
Wedelia scaberrima | Wedelia | Asteraceae | |
Carlina acanthifolia | Carlina | Asteraceae | |
Tripterygium regelii | Tripterygium | Celastraceae | |
Tynanthus panurensis | Tynanthus | Bignoniaceae | |
Diospyros buxifolia | Diospyros | Ebenaceae | |
Myrsine africana | Myrsine | Primulaceae | |
Litsea zeylanica | Litsea | Lauraceae | |
Rosulabryum capillare | Rosulabryum | Bryaceae | |
Millettia erythrocalyx | Millettia | Fabaceae | |
Marrubium cylleneum | Marrubium | Lamiaceae | |
Citrus rugulosa | Citrus | Rutaceae | |
Melochia corchorifolia | Melochia | Malvaceae | |
Osmanthus heterophyllus | Osmanthus | Oleaceae | |
Juniperus rigida var. conferta | Juniperus | Cupressaceae | |
Stachyurus himalaicus | Stachyurus | Stachyuraceae | |
Aconitum violaceum | Aconitum | Ranunculaceae | |
Astragalus membranaceus | Astragalus | Fabaceae | |
Trifolium strepens | Trifolium | Fabaceae | |
Rumex maritimus | Rumex | Polygonaceae | |
Scutellaria sieberi | Scutellaria | Lamiaceae | |
Hoffmannia strigillosa | Hoffmannia | Rubiaceae | |
Castanopsis cuspidata | Castanopsis | Fagaceae | |
Galega officinalis | Galega | Fabaceae | |
Christisonia bicolor | Christisonia | Orobanchaceae | |
Plumbagella micrantha | Plumbagella | Plumbaginaceae | |
Aglaia australiensis | Aglaia | Meliaceae | |
Tecoma grandiflora | Tecoma | Bignoniaceae | |
Anthyllis onobrychoides | Anthyllis | Fabaceae | |
Tetraneuris acaulis | Tetraneuris | Asteraceae | |
Maytenus hookeri | Maytenus | Celastraceae | |
Aster ageratoides | Aster | Asteraceae | |
Delphinium cashmerianum | Delphinium | Ranunculaceae | |
Thaminophyllum multiflorum | Thaminophyllum | Asteraceae | |
Tephrosia pumila | Tephrosia | Fabaceae | |
Diphasiastrum thyoides | Diphasiastrum | Lycopodiaceae | |
Senecio rupestris | Senecio | Asteraceae | |
Vitis silvestris | Vitis | Vitaceae | |
Pluchea suaveolens | Pluchea | Asteraceae | |
Atroxima liberica | Atroxima | Polygalaceae | |
Mussaenda parviflora | Mussaenda | Rubiaceae | |
Solanum andigena | Solanum | Solanaceae | |
Pilocarpus spicatus | Pilocarpus | Rutaceae | |
Walsura tubulata | Walsura | Meliaceae | |
Anisodus tanguticus | Anisodus | Solanaceae | |
Chrysosplenium tetrandrum | Chrysosplenium | Saxifragaceae | |
Tephrosia vogelii | Tephrosia | Fabaceae | |
Walsura piscidia | Walsura | Meliaceae | |
Panax papyrifer | Panax | Araliaceae | |
Ginkgo biloba | Ginkgo | Ginkgoaceae | |
Chaenomeles sinensis | Chaenomeles | Rosaceae | |
Heuchera cylindrica | Heuchera | Saxifragaceae | |
Amelanchier vulgaris | Amelanchier | Rosaceae | |
Tacca plantaginea | Tacca | Taccaceae | |
Linum crispum | Linum | Linaceae | |
Caesalpinia crista | Guilandina | Fabaceae | |
Prunus lusitanica | Prunus | Rosaceae | |
Palafoxia texana | Palafoxia | Asteraceae | |
Wyethia mollis | Wyethia | Asteraceae | |
Macadamia ternifolia | Macadamia | Proteaceae | |
Calea pilosa | Calea | Asteraceae | |
Cordyline neocaledonica | Cordyline | Asparagaceae | |
Stevia connata | Stevia | Asteraceae | |
Baphia bancoensis | Baphia | Fabaceae | |
Helichrysum davenportii | Helichrysum | Asteraceae | |
Plectranthus purpuratus | Plectranthus | Lamiaceae | |
Sanguisorba officinalis | Sanguisorba | Rosaceae | |
Cineraria geifolia | Cineraria | Asteraceae | |
Halocarpus biformis | Halocarpus | Podocarpaceae | |
Petteria ramentacea | Petteria | Fabaceae | |
Iochroma australe | Iochroma | Solanaceae | |
Tanacetum parthenifolium | Tanacetum | Asteraceae | |
Cardamine pinnata | Cardamine | Brassicaceae | |
Codonocarpus australis | Codonocarpus | Gyrostemonaceae | |
Schizonepeta multifida | Schizonepeta | Lamiaceae | |
Swertia japonica | Swertia | Gentianaceae | |
Quercus serrata | Quercus | Fagaceae | |
Crateva nurvala | Crateva | Capparaceae | |
Polygala amara | Polygala | Polygalaceae | |
Stephania sutchuenensis | Stephania | Menispermaceae | |
Unonopsis glaucopetala | Unonopsis | Annonaceae | |
Morus alba | Morus | Moraceae | |
Rubus rosa | Rubus | Rosaceae | |
Aegilops geniculata | Aegilops | Poaceae | |
Foeniculum vulgare | Foeniculum | Apiaceae | |
Pleogyne cunninghamii | Pleogyne | Menispermaceae | |
Pyrola decorata | Pyrola | Ericaceae | |
Pleogyne cunninghami | Pleogyne | Menispermaceae | |
Euonymus nanoides | Euonymus | Celastraceae | |
Cerbera dilatata | Cerbera | Apocynaceae | |
Achillea clypeolata | Achillea | Asteraceae | |
Bridelia ferruginea | Bridelia | Phyllanthaceae | |
Berberis julianae | Berberis | Berberidaceae | |
Tetragonia tetragonioides | Tetragonia | Aizoaceae | |
Zieria smithii | Zieria | Rutaceae | |
Bystropogon origanifolius | Bystropogon | Lamiaceae | |
Cuscuta australis | Cuscuta | Convolvulaceae | |
Cullen corylifolium | Cullen | Fabaceae | |
Sapium haematospermum | Sapium | Euphorbiaceae | |
Ranunculus acris | Ranunculus | Ranunculaceae | |
Aesculus chinensis | Aesculus | Sapindaceae | |
Glycyrrhiza glabra | Glycyrrhiza | Fabaceae | |
Urena lobata | Urena | Malvaceae | |
Samadera indica | Samadera | Simaroubaceae | |
Hippophae fructus | Hippophae | Elaeagnaceae | |
Polygonum aviculare | Polygonum | Polygonaceae | |
Delphinium staphisagria | Delphinium | Ranunculaceae | |
tripolium vulgare | Tripolium | Asteraceae | |
dracocephalum ruyschiana | Dracocephalum | Lamiaceae | |
Desmodium styracifolium | Desmodium | Fabaceae | |
Diplacus longiflorus | Diplacus | Phrymaceae | |
Piper sanctum | Piper | Piperaceae | |
Alstonia undulifolia | Alstonia | Apocynaceae | |
Teucrium asiaticum | Teucrium | Lamiaceae | |
Nelumbo nucifera | Nelumbo | Nelumbonaceae | |
Achillea pseudopectinata | Achillea | Asteraceae | |
Montanoa guatemalensis | Montanoa | Asteraceae | |
Scrophularia koelzii | Scrophularia | Scrophulariaceae | |
Euphorbia myrsinites | Euphorbia | Euphorbiaceae | |
Melia indica | Melia | Meliaceae | |
Medinilla magnifica | Medinilla | Melastomataceae | |
Senecio variabilis | Senecio | Asteraceae | |
Calostephane divaricata | Calostephane | Asteraceae | |
Ostryopsis davidiana | Ostryopsis | Betulaceae | |
Archidendron lucidum | Archidendron | Fabaceae | |
Vicia amurensis | Vicia | Fabaceae | |
Erigeron breviscapus | Erigeron | Asteraceae | |
Veronica persica | Veronica | Plantaginaceae | |
Betula platyphylla | Betula | Betulaceae | |
Knautia montana | Knautia | Caprifoliaceae | |
Dendrobium thyrsiflorum | Dendrobium | Orchidaceae | |
Erigeron annuus | Erigeron | Asteraceae | |
Laggera alata | Laggera | Asteraceae | |
Polygonum flaccidum | Polygonum | Polygonaceae | |
Fagraea gracilipes | Fagraea | Gentianaceae | |
Isatis tinctoria | Isatis | Brassicaceae | |
Pteris pacifica | Pteris | Pteridaceae | |
Kopsia profunda | Kopsia | Apocynaceae | |
Polymnia uvedalia | Polymnia | Asteraceae | |
Syzygium nervosum | Syzygium | Myrtaceae | |
Helipterum gnaphaloides | Helipterum | Asteraceae | |
Lepidosperma ustulatum | Lepidosperma | Cyperaceae | |
Toxicodendron vernicifluum | Toxicodendron | Anacardiaceae | |
Daemonorops draco | Daemonorops | Arecaceae | |
Garrya elliptica | Garrya | Garryaceae | |
Hubertia tomentosa | Hubertia | Asteraceae | |
Millettia ferruginea | Millettia | Fabaceae | |
Tsuga diversifolia | Tsuga | Pinaceae | |
Lawsonia inermis | Lawsonia | Lythraceae | |
Tussilago farfara | Tussilago | Asteraceae | |
Laburnum watereri | Laburnum | Fabaceae | |
Nassauvia cumingii | Nassauvia | Asteraceae | |
Ligustrum obtusifolium | Ligustrum | Oleaceae | |
Papaver persicum | Papaver | Papaveraceae | |
Chisocheton ceramicus | Chisocheton | Meliaceae | |
Chrysocoma peduncularis | Chrysocoma | Asteraceae | |
Osyris abyssinica | Osyris | Santalaceae | |
Hymenothrix wislizenii | Hymenothrix | Asteraceae | |
Euphorbia humifusa | Euphorbia | Euphorbiaceae | |
Salvia miltiorrhiza | Salvia | Lamiaceae | |
Helichrysum auriceps | Helichrysum | Asteraceae | |
Thermopsis dolichocarpa | Thermopsis | Fabaceae | |
Crambe tatarica | Crambe | Brassicaceae | |
Garrya laurifolia | Garrya | Garryaceae | |
Petroselinum crispum | Petroselinum | Apiaceae | |
Limnocharis flava | Limnocharis | Alismataceae | |
Cocos nucifera | Cocos | Arecaceae | |
Vaccinium oxycoccos | Vaccinium | Ericaceae | |
Picris conyzoides | Picris | Asteraceae | |
Sequoia sempervirens | Sequoia | Cupressaceae | |
Amaranthus hypochondriacus | Amaranthus | Amaranthaceae | |
Jacobaea subalpina | Jacobaea | Asteraceae | |
Iryanthera paraensis | Iryanthera | Myristicaceae | |
Conyza filaginoides | Conyza | Asteraceae | |
Dendrobium crepidatum | Dendrobium | Orchidaceae | |
Zanthoxylum fraxineum | Zanthoxylum | Rutaceae | |
Dunalia solanacea | Dunalia | Solanaceae | |
Hypericum sikokumontanum | Hypericum | Hypericaceae | |
Ulva conglobata | Ulva | Ulvaceae | |
Bergenia crassifolia | Bergenia | Saxifragaceae | |
Sutherlandia frutescens | Sutherlandia | Fabaceae | |
Mesua ferrea | Mesua | Calophyllaceae | |
Caragana aurantiaca | Caragana | Fabaceae | |
Astragalus dissectus | Astragalus | Fabaceae | |
Baillonella toxisperma | Baillonella | Sapotaceae | |
Berberis floribunda | Berberis | Berberidaceae | |
Vismia orientalis | Vismia | Hypericaceae | |
Phebalium ambiens | Phebalium | Rutaceae | |
Glycyrrhiza uralensis | Glycyrrhiza | Fabaceae | |
Greenwayodendron oliveri | Greenwayodendron | Annonaceae | |
Goniothalamus giganteus | Goniothalamus | Annonaceae | |
Helicteres angustifolia | Helicteres | Malvaceae | |
Brachychiton populneum | Brachychiton | Malvaceae | |
Goupia glabra | Goupia | Goupiaceae | |
Astragalus cicer | Astragalus | Fabaceae | |
Jamesoniella colorata | Jamesoniella | Jungermanniaceae | |
Geranium wilfordii maxim | Geranium | Geraniaceae | |
Premna odorata | Premna | Lamiaceae | |
Garcinia pyrifera | Garcinia | Clusiaceae | |
Centaurea cana | Centaurea | Asteraceae | |
Fagus fusca | Fagus | Fagaceae | |
Fumaria micrantha | Fumaria | Papaveraceae | |
Spiracantha cornifolia | Spiracantha | Asteraceae | |
Cleome pungens | Cleome | Cleomaceae | |
Senecio viscosus | Senecio | Asteraceae | |
Alhagi persarum | Alhagi | Fabaceae | |
Passiflora foetida | Passiflora | Passifloraceae | |
Asparagus officinalis | Asparagus | Asparagaceae | |
Pterodon emarginatus | Pterodon | Fabaceae | |
Excoecaria acerifolia | Excoecaria | Euphorbiaceae | |
Buphthalmum salicifolium | Buphthalmum | Asteraceae | |
Berlinia tomentosa | Berlinia | Fabaceae | |
Tylophora tanakae | Tylophora | Apocynaceae | |
Acacia kempeana | Acacia | Fabaceae | |
Ocotea minarum | Ocotea | Lauraceae | |
Senecio cathcartensis | Senecio | Asteraceae | |
Marcetella moquiniana | Marcetella | Rosaceae | |
Croton laccifer | Croton | Euphorbiaceae | |
Polygonatum stenophyllum | Polygonatum | Asparagaceae | |
Pseudocinchona pachyceras | Pseudocinchona | Rubiaceae | |
Ophryosporus floribundus | Ophryosporus | Asteraceae | |
Cymodocea nodosa | Cymodocea | Cymodoceaceae | |
Picrorhiza kurrooa | Picrorhiza | Plantaginaceae | |
Euphorbia pannonica | Euphorbia | Euphorbiaceae | |
Teucrium lanigerum | Teucrium | Lamiaceae | |
Myristica cagayanensis | Myristica | Myristicaceae | |
Cotyledon secunda | Cotyledon | Crassulaceae | |
Eupatorium lindleyanum | Eupatorium | Asteraceae | |
Holboellia fargesi | Holboellia | Lardizabalaceae | |
Cryptocarya lividula | Cryptocarya | Lauraceae | |
Artemisia lactiflora | Artemisia | Asteraceae | |
Bonamia spectabilis | Bonamia | Convolvulaceae | |
Monopteryx uaucu | Monopteryx | Fabaceae | |
Licaria brasiliensis | Licaria | Lauraceae | |
Narthecium asiaticum | Narthecium | Nartheciaceae | |
Stachys palustris | Stachys | Lamiaceae | |
Crotalaria orixensis | Crotalaria | Fabaceae | |
Pteris semipinnata | Pteris | Pteridaceae | |
Atuna racemosa | Atuna | Chrysobalanaceae | |
Persicaria tinctoria | Persicaria | Polygonaceae | |
Patrinia villosa | Patrinia | Caprifoliaceae | |
Inula japonica | Inula | Asteraceae | |
Daphniphyllum angustifolium | Daphniphyllum | Daphniphyllaceae | |
Astragalus pycnanthus | Astragalus | Fabaceae | |
Fritillaria ningguoensis | Fritillaria | Liliaceae | |
Crocus sativus | Crocus | Iridaceae | |
Pulsatilla campanella | Pulsatilla | Ranunculaceae | |
Rauvolfia vomitoria | Rauvolfia | Apocynaceae | |
Charpentiera obovata | Charpentiera | Amaranthaceae | |
Gnetum latifolium | Gnetum | Gnetaceae | |
Gardenia jasminoides | Gardenia | Rubiaceae | |
Vernonanthura pinguis | Vernonanthura | Asteraceae | |
Lotus ucrainicus | Lotus | Fabaceae | |
Catalpa ovata | Catalpa | Bignoniaceae | |
Pinus brutia var. eldarica | Pinus | Pinaceae | |
Cichorium intybus | Cichorium | Asteraceae |
Ingredient ID: NPC111882
Formula: C6H12O5
Common Name | n.a. |
IUPAC Name | (1R,2S,4S,5R)-cyclohexane-1,2,3,4,5-pentol |
Canonical SMILES | O[C@@H]1C[C@@H](O)[C@@H](C([C@H]1O)O)O |
Standard InCHI | InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3-,4+,5+/m1/s1 |
Standard InCHIKey | IMPKVMRTXBRHRB-MBMOQRBOSA-N |
Ingredient External Links |
PubChem CID: 441437 ZINC ID: ZINC000004097493 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC111882] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Phoenix loureiroi | Phoenix | Arecaceae | |
Thalictrum longistylum | Thalictrum | Ranunculaceae | |
Atylosia trinervia | Atylosia | Fabaceae | |
Salvia parryi | Salvia | Lamiaceae | |
Iris ensata | Iris | Iridaceae | |
Solanum lasiocarpum | Solanum | Solanaceae | |
Petasites georgicus | Petasites | Asteraceae | |
Cissampelos pareira | Cissampelos | Menispermaceae | |
Glycyrrhiza inflata | Glycyrrhiza | Fabaceae | |
Turpinia ternata | Turpinia | Staphyleaceae | |
Nuphar lutea | Nuphar | Nymphaeaceae | |
Polygonatum odoratum | Polygonatum | Asparagaceae | |
Myrsine africana | Myrsine | Primulaceae | |
Phoenix dactylifera | Phoenix | Arecaceae | |
Aglaia odorata | Aglaia | Meliaceae | |
Stephania hernandifolia | Stephania | Menispermaceae | |
Xyris pterygoblephara | Xyris | Xyridaceae | |
Elephantopus mollis | Elephantopus | Asteraceae | |
Gomortega keule | Gomortega | Gomortegaceae | |
Quercus robur | Quercus | Fagaceae | |
Picea mariana | Picea | Pinaceae | |
Viguiera oblongifolia | Viguiera | Asteraceae | |
Viburnum urceolatum | Viburnum | Adoxaceae | |
Euryops algoensis | Euryops | Asteraceae | |
Artemisia schimperi | Artemisia | Asteraceae | |
Gardenia jasminoides | Gardenia | Rubiaceae | |
Litsea pungens | Litsea | Lauraceae |
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC111882 | C6H12O5 | 164.0684735 | -2.8415 | 1.57 | -1.286 | 5 | 5 | 101.15 | 5 | 1 | 11 | 0 | |
NPC133671 | C21H20O11 | Astragalin | 448.1 | -4.4318 | 2.56 | 0.18 | 7 | 7 | 186.37 | 11 | 4 | 32 | 1 |
NPC143168 | C17H26O4 | Embelin | 294.18 | -3.4988 | 2.89 | 6.234 | 4 | 2 | 74.6 | 13 | 1 | 21 | 1 |
NPC145571 | C21H20O12 | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | 464.0954761 | -4.8921 | 2.45 | -0.354 | 7 | 8 | 206.6 | 4 | 4 | 33 | 1 |
NPC156788 | C14H10OS | 226.0452359 | 3.3132 | 2.78 | 3.036 | 1 | 0 | 36.28 | 1 | 0 | 16 | 0 | |
NPC158662 | C30H50O3 | 458.3759955 | 1.3478 | 4.43 | 8.336 | 3 | 3 | 60.69 | 11 | 5 | 33 | 1 | |
NPC23140 | C16H19NO6 | 7-(2,3-dihydroxy-3-methylbutyl)-6-methoxy-9H-[1,3]dioxolo[4,5-h]quinolin-8-one | 321.1212373 | -1.1293 | 2.45 | 0.492 | 3 | 3 | 101.27 | 4 | 3 | 23 | 0 |
NPC243272 | C18H28O4 | 5-O-Methylembelin | 308.2 | -3.4343 | 3 | 6.126 | 4 | 1 | 63.6 | 14 | 1 | 22 | 2 |
NPC254848 | C15H10O5 | 3,8-dihydroxy-6-methyl-9,10-dioxoanthracen-1-olate | 269.0449984 | -1.6003 | 2.56 | 0.664 | 2 | 2 | 97.66 | 0 | 3 | 20 | 0 |
NPC257566 | C29H34O14 | 606.1948558 | -4.5501 | 3.11 | -0.304 | 10 | 7 | 214.06 | 17 | 5 | 43 | 1 | |
NPC267205 | C15H12O4 | Emodin Anthrone | 256.07 | -0.5465 | 2.67 | 1.793 | 1 | 3 | 77.76 | 4 | 3 | 19 | 0 |
NPC308404 | C21H20O12 | 464.0954761 | -4.8921 | 2.45 | -0.354 | 12 | 8 | 206.6 | 12 | 4 | 33 | 1 | |
NPC416 | C15H10O5 | 270.0528234 | -1.2665 | 2.56 | 0.882 | 2 | 3 | 94.83 | 4 | 3 | 20 | 0 | |
NPC4437 | C14H10OS | 226.0452359 | 3.3132 | 2.78 | 3.036 | 1 | 0 | 36.28 | 1 | 0 | 16 | 0 | |
NPC53810 | C54H88O23 | 1104.571639 | -4.7431 | 4.87 | 3.159 | 23 | 13 | 363.13 | 11 | 10 | 77 | 3 | |
NPC72471 | C36H54O8 | 2-[1-(2,5-dihydroxy-3,6-dioxo-4-undecylcyclohexa-1,4-dien-1-yl)ethyl]-3,6-dihydroxy-5-undecylcyclohexa-2,5-diene-1,4-dione | 614.3818687 | -6.7702 | 4.54 | 12.536 | 8 | 4 | 149.2 | 22 | 2 | 44 | 2 |
NPC86143 | C21H20O11 | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | 448.1005615 | -4.4318 | 2.56 | 0.18 | 7 | 7 | 186.37 | 4 | 4 | 32 | 1 |
NPC90411 | C9H8O4 | Sid22414536 | 180.04 | -0.5916 | 2.01 | 0.98 | 2 | 1 | 55.76 | 3 | 2 | 13 | 0 |
NPC93334 | C36H52O7 | 2,7-dihydroxy-9-methyl-3,6-di(undecyl)-9H-xanthene-1,4,5,8-tetrone | 596.371304 | -6.6917 | 4.65 | 11.949 | 7 | 2 | 117.97 | 20 | 3 | 43 | 2 |
NPC94488 | C19H30O4 | 322.2144094 | -3.1839 | 3.11 | 6.549 | 4 | 1 | 63.6 | 15 | 1 | 23 | 2 |