23 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: NPC98680
Formula: C27H30O16
Ingredient ID: NPC98680
| Common Name | n.a. |
| IUPAC Name | n.a. |
| 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[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O |
| Standard InCHI | InChI=1S/C27H30O16/c28-7-14-17(33)20(36)21(37)26(40-14)42-24-18(34)15(8-29)41-27(22(24)38)43-25-19(35)16-12(32)5-11(31)6-13(16)39-23(25)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,24,26-34,36-38H,7-8H2/t14-,15-,17-,18-,20+,21-,22-,24+,26+,27+/m1/s1 |
| Standard InCHIKey | OKOZVTRKRQJDAV-IKQCVBCTSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD85523] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Meconopsis punicea | Meconopsis | Papaveraceae |
 |
| Euonymus alatus | Euonymus | Celastraceae |
 |
| Papaver bracteatum | Papaver | Papaveraceae |
|
| Laurus nobilis | Laurus | Lauraceae |
  |
Ingredient ID: NPC55600
Formula: C41H63NO15
Ingredient ID: NPC55600
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CC[C@H](C(=O)O[C@H]1[C@H](O)[C@H]2[C@H]([C@H]3[C@]1(O)[C@@H]1[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]4[C@]5([C@]1(C3)O[C@@]4(O)[C@H](CC5)OC(=O)[C@@]([C@H](O)C)(O)C)C)CN1[C@H]([C@@]2(C)O)CC[C@@H](C1)C)C |
| Standard InCHI | InChI=1S/C41H63NO15/c1-10-19(3)34(47)56-33-28(46)27-23(17-42-16-18(2)11-12-25(42)38(27,9)50)24-15-39-32(40(24,33)51)30(54-22(6)45)29(53-21(5)44)31-36(39,7)14-13-26(41(31,52)57-39)55-35(48)37(8,49)20(4)43/h18-20,23-33,43,46,49-52H,10-17H2,1-9H3/t18-,19+,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37+,38+,39+,40-,41-/m0/s1 |
| Standard InCHIKey | BFLXOMFFVWQPAZ-RIJHYFDJSA-N |
| Ingredient External Links |
PubChem CID: 18477544 |
| Plant-Ingredient Association Reference |
Database: TCMID [15443] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Papaver bracteatum | Papaver | Papaveraceae |
|
| Papaver somniferum | Papaver | Papaveraceae |
|
Ingredient ID: NPC40857
Formula: C20H22N2O3
Ingredient ID: NPC40857
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COC(=O)[C@H]1C2CC3C4(N1c1ccccc1C4=O)CCN3C/C/2=C/C |
| Standard InCHI | InChI=1S/C20H22N2O3/c1-3-12-11-21-9-8-20-16(21)10-14(12)17(19(24)25-2)22(20)15-7-5-4-6-13(15)18(20)23/h3-7,14,16-17H,8-11H2,1-2H3/b12-3-/t14?,16?,17-,20?/m1/s1 |
| Standard InCHIKey | PPYARVBMTFPVQA-OPWCFFJISA-N |
| Ingredient External Links |
PubChem CID: 5317362 |
| Plant-Ingredient Association Reference |
Database: TCMID [7838] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Papaver bracteatum | Papaver | Papaveraceae |
|
| Catharanthus roseus | Catharanthus | Apocynaceae |
|
| Papaver somniferum | Papaver | Papaveraceae |
|
Ingredient ID: NPC33179
Formula: C18H21NO3
Ingredient ID: NPC33179
| Common Name | n.a. |
| IUPAC Name | (4R,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,6,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol |
| Canonical SMILES | COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)C4=CC[C@@H]1O)C |
| Standard InCHI | InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-4,6,12-13,17,20H,5,7-9H2,1-2H3/t12-,13+,17+,18+/m1/s1 |
| Standard InCHIKey | NNDKZTBFZTWKLA-QISBLDNZSA-N |
| Ingredient External Links |
PubChem CID: 5462437 |
| Plant-Ingredient Association Reference |
Database: TCMID [15440] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Chrozophora prostrata | Chrozophora | Euphorbiaceae |
|
| Aquilaria agallochum | Aquilaria | Thymelaeaceae |
|
| Aloe microstigma | Aloe | Asphodelaceae | |
| Papaver bracteatum | Papaver | Papaveraceae |
|
| Papaver somniferum | Papaver | Papaveraceae |
|
Ingredient ID: NPC287657
Formula: C18H31N3O3
Ingredient ID: NPC287657
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O=CN1CCCN2[C@H](CC=C[C@H]2[C@H](CC)O)CC(=NCCCC1)O |
| Standard InCHI | InChI=1S/C18H31N3O3/c1-2-17(23)16-8-5-7-15-13-18(24)19-9-3-4-10-20(14-22)11-6-12-21(15)16/h5,8,14-17,23H,2-4,6-7,9-13H2,1H3,(H,19,24)/t15-,16+,17+/m1/s1 |
| Standard InCHIKey | TYRJPNHABXLXHV-IKGGRYGDSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD134522] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Meconopsis punicea | Meconopsis | Papaveraceae |
|
| Euonymus alatus | Euonymus | Celastraceae |
|
| Papaver bracteatum | Papaver | Papaveraceae |
|
| Laurus nobilis | Laurus | Lauraceae |
|
Ingredient ID: NPC256853
Formula: C2H6O2S
Ingredient ID: NPC256853
| Common Name | Methanesulfonylmethane |
| IUPAC Name | methylsulfonylmethane |
| Canonical SMILES | CS(=O)(=O)C |
| Standard InCHI | InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3 |
| Standard InCHIKey | HHVIBTZHLRERCL-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 6213 ChEMBL ID: CHEMBL25028 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD27318] Database: NPASS [NPC256853] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Equisetum hyemale | Equisetum | Equisetaceae |
|
| Aloe vera | Aloe | Xanthorrhoeaceae |
|
| Aloe ferox | Aloe | Asphodelaceae |
|
| Angelica sinensis | Angelica | Apiaceae |
|
| Aloe spicata | Aloe | Asphodelaceae |
|
| Oroxylum indicum | Oroxylum | Bignoniaceae |
|
| Meconopsis punicea | Meconopsis | Papaveraceae |
|
| Euonymus alatus | Euonymus | Celastraceae |
|
| Papaver bracteatum | Papaver | Papaveraceae |
|
| Laurus nobilis | Laurus | Lauraceae |
|
| Aloe africana | Aloe | Xanthorrhoeaceae |
|
| Equisetum hiemale | Equisetum | Equisetaceae |
|
Ingredient ID: NPC255607
Formula: C19H21NO4
Ingredient ID: NPC255607
| Common Name | Salutaridine |
| IUPAC Name | n.a. |
| Canonical SMILES | COC1=C[C@@]23CCN([C@@H](C2=CC1=O)Cc1c3c(O)c(cc1)OC)C |
| Standard InCHI | InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/t13-,19+/m1/s1 |
| Standard InCHIKey | GVTRUVGBZQJVTF-YJYMSZOUSA-N |
| Ingredient External Links |
PubChem CID: 5408233 ZINC ID: ZINC000028539108 ChEMBL ID: CHEMBL404097 |
| Plant-Ingredient Association Reference |
PMID: 17226487 Database: NPASS [NPC255607] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Chrozophora prostrata | Chrozophora | Euphorbiaceae |
|
| Sinomenium acutum | Sinomenium | Menispermaceae |
|
| Armoracia rusticana | Armoracia | Brassicaceae |
|
| Aloe microstigma | Aloe | Asphodelaceae | |
| Capsella bursa-pastoris | Capsella | Brassicaceae |
|
| Brassica juncea | Brassica | Brassicaceae |
|
| Papaver bracteatum | Papaver | Papaveraceae |
|
| Papaver sommiferum | Papaver | Papaveraceae |
|
| Isatis indigotica | Isatis | Brassicaceae |
|
| Isatis tinctoria | Isatis | Brassicaceae |
|
| Patrinia villosa | Patrinia | Caprifoliaceae |
|
| Stephania delavayi | Stephania | Menispermaceae |
|
| Papaver somniferum | Papaver | Papaveraceae |
|
Ingredient ID: NPC237727
Formula: C39H50O25
Ingredient ID: NPC237727
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(c(c3=O)O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C39H50O25/c1-11-21(44)26(49)30(53)36(57-11)56-10-19-24(47)28(51)32(55)38(62-19)63-34-25(48)20-15(43)6-14(7-16(20)59-33(34)12-2-4-13(42)5-3-12)58-39-35(29(52)23(46)18(9-41)61-39)64-37-31(54)27(50)22(45)17(8-40)60-37/h2-7,11,17-19,21-24,26-32,35-47,49-55H,8-10H2,1H3/t11-,17+,18+,19+,21-,22+,23+,24+,26+,27-,28-,29-,30+,31+,32+,35+,36+,37-,38-,39+/m0/s1 |
| Standard InCHIKey | GTUPIAZMULBSIN-IPCMTAOJSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD180439] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Meconopsis punicea | Meconopsis | Papaveraceae |
|
| Euonymus alatus | Euonymus | Celastraceae |
|
| Papaver bracteatum | Papaver | Papaveraceae |
|
| Laurus nobilis | Laurus | Lauraceae |
|
Ingredient ID: NPC237031
Formula: C17H31N3O2
Ingredient ID: NPC237031
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CC[C@@H]([C@@H]1C=CC[C@H]2N1CCCNCCCCN=C(C2)O)O |
| Standard InCHI | InChI=1S/C17H31N3O2/c1-2-16(21)15-8-5-7-14-13-17(22)19-11-4-3-9-18-10-6-12-20(14)15/h5,8,14-16,18,21H,2-4,6-7,9-13H2,1H3,(H,19,22)/t14-,15+,16+/m1/s1 |
| Standard InCHIKey | YMALJVLSPODBKM-PMPSAXMXSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD101506] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Meconopsis punicea | Meconopsis | Papaveraceae |
|
| Euonymus alatus | Euonymus | Celastraceae |
|
| Papaver bracteatum | Papaver | Papaveraceae |
|
| Laurus nobilis | Laurus | Lauraceae |
|
Ingredient ID: NPC227017
Formula: C27H30O16
Ingredient ID: NPC227017
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OC[C@@H]1O[C@H](Oc2cc(O)c3c(c2)oc(c(c3=O)O[C@H]2O[C@@H](CO)[C@@H]([C@H]([C@@H]2O)O)O)c2ccc(cc2)O)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-5-12(31)16-13(6-11)40-24(9-1-3-10(30)4-2-9)25(19(16)34)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m0/s1 |
| Standard InCHIKey | XFFQVRFGLSBFON-BZARIISDSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD140801] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Eupatorium semiserratum | Eupatorium | Asteraceae | |
| Meconopsis punicea | Meconopsis | Papaveraceae |
|
| Euonymus alatus | Euonymus | Celastraceae |
|
| Papaver bracteatum | Papaver | Papaveraceae |
|
| Laurus nobilis | Laurus | Lauraceae |
|
Ingredient ID: NPC2073
Formula: C18H21NO3
Ingredient ID: NPC2073
| Common Name | n.a. |
| IUPAC Name | (7S,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol |
| Canonical SMILES | COc1ccc2c3c1OC1[C@@]43CCN(C(C2)C4C=C[C@@H]1O)C |
| Standard InCHI | InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11?,12?,13-,17?,18-/m0/s1 |
| Standard InCHIKey | OROGSEYTTFOCAN-GLAODNLDSA-N |
| Ingredient External Links |
PubChem CID: 53477788 |
| Plant-Ingredient Association Reference |
Database: TCMID [3885] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Papaver bracteatum | Papaver | Papaveraceae |
|
| Papaver somniferum | Papaver | Papaveraceae |
|
Ingredient ID: NPC199914
Formula: C18H31N3O3
Ingredient ID: NPC199914
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O=CN1CCCN2[C@H](C=CC[C@H]2[C@H](CC)O)CC(=NCCCC1)O |
| Standard InCHI | InChI=1S/C18H31N3O3/c1-2-17(23)16-8-5-7-15-13-18(24)19-9-3-4-10-20(14-22)11-6-12-21(15)16/h5,7,14-17,23H,2-4,6,8-13H2,1H3,(H,19,24)/t15-,16+,17+/m1/s1 |
| Standard InCHIKey | LAEWGEHSKCMNRG-IKGGRYGDSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD36176] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Meconopsis punicea | Meconopsis | Papaveraceae |
|
| Euonymus alatus | Euonymus | Celastraceae |
|
| Papaver bracteatum | Papaver | Papaveraceae |
|
| Laurus nobilis | Laurus | Lauraceae |
|
Ingredient ID: NPC187107
Formula: C33H40O20
Ingredient ID: NPC187107
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OC[C@@H]1O[C@H](Oc2cc(O)c3c(c2)oc(c(c3=O)O[C@H]2O[C@@H](CO[C@H]3O[C@@H](C)[C@@H]([C@H]([C@@H]3O)O)O)[C@@H]([C@H]([C@@H]2O)O)O)c2ccc(cc2)O)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C33H40O20/c1-10-19(37)23(41)26(44)31(48-10)47-9-17-21(39)25(43)28(46)33(52-17)53-30-22(40)18-14(36)6-13(49-32-27(45)24(42)20(38)16(8-34)51-32)7-15(18)50-29(30)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16-,17-,19-,20-,21-,23+,24+,25+,26-,27-,28-,31-,32-,33+/m0/s1 |
| Standard InCHIKey | SCEPATPTKMFDSR-VHCJCXNUSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD86239] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Meconopsis punicea | Meconopsis | Papaveraceae |
|
| Euonymus alatus | Euonymus | Celastraceae |
|
| Papaver bracteatum | Papaver | Papaveraceae |
|
| Laurus nobilis | Laurus | Lauraceae |
|
Ingredient ID: NPC184248
Formula: C33H40O21
Ingredient ID: NPC184248
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OC[C@@H]1O[C@H](Oc2cc(O)c3c(c2)oc(c(c3=O)O[C@H]2O[C@@H](CO[C@H]3O[C@@H](C)[C@@H]([C@H]([C@@H]3O)O)O)[C@@H]([C@H]([C@@H]2O)O)O)c2ccc(c(c2)O)O)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16-,17-,19-,20-,21-,23+,24+,25+,26-,27-,28-,31-,32-,33+/m0/s1 |
| Standard InCHIKey | SPUFXPFDJYNCFD-BCRMAZDDSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD94319] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Centaurea solstitialis | Centaurea | Asteraceae |
|
| Xanthorrhoea resinosa | Xanthorrhoea | Asphodelaceae |
|
| Ocimum pilosum | Ocimum | Lamiaceae |
|
| Rhododendron ungerni | Rhododendron | Ericaceae | |
| Lagochilus leiacanthus | Lagochilus | Lamiaceae | |
| Strychnos tricalysioides | Strychnos | Loganiaceae | |
| Piptostigma fugax | Piptostigma | Annonaceae | |
| Chara ceratophylla | Chara | Characeae | |
| Cosmos diversifolius | Cosmos | Asteraceae | |
| Trichodesma incanum | Trichodesma | Boraginaceae | |
| Rhododendron mucronatum | Rhododendron | Ericaceae |
|
| Onobrychis viciifolia | Onobrychis | Fabaceae |
|
| Eupatorium semiserratum | Eupatorium | Asteraceae | |
| Inga velutina | Inga | Fabaceae |
|
| Curcuma caesia | Curcuma | Zingiberaceae |
|
| Cathormion altissimum | Cathormion | Fabaceae | |
| Urochloa decumbens | Urochloa | Poaceae | |
| Erythrophleum couminga | Erythrophleum | Fabaceae |
|
| Meconopsis punicea | Meconopsis | Papaveraceae |
|
| Euonymus alatus | Euonymus | Celastraceae |
|
| Papaver bracteatum | Papaver | Papaveraceae |
|
| Laurus nobilis | Laurus | Lauraceae |
|
| Erythrina pallida | Erythrina | Fabaceae | |
| Eucalyptus australiana | Eucalyptus | Myrtaceae | |
| Phelline lucida | Phelline | Phellinaceae | |
| Lactuca serriola | Lactuca | Asteraceae |
|
| Artocarpus altilis | Artocarpus | Moraceae |
|
| Cryptocarya oblata | Cryptocarya | Lauraceae | |
| Solenopsis punctaticeps | Solenopsis | Campanulaceae |
Ingredient ID: NPC182570
Formula: C10H14N2
Ingredient ID: NPC182570
| Common Name | Nicotine |
| IUPAC Name | 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine |
| Canonical SMILES | CN1CCC[C@H]1c1cccnc1 |
| Standard InCHI | InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 |
| Standard InCHIKey | SNICXCGAKADSCV-JTQLQIEISA-N |
| Ingredient External Links |
PubChem CID: 89594 ZINC ID: ZINC000000391812 ChEMBL ID: CHEMBL3 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC182570] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Ephedra intermedia | Ephedra | Ephedraceae |
|
| Garcinia lucida | Garcinia | Clusiaceae |
|
| Piper nigrum | Piper | Piperaceae |
|
| Meconopsis punicea | Meconopsis | Papaveraceae |
|
| Euonymus alatus | Euonymus | Celastraceae |
|
| Papaver bracteatum | Papaver | Papaveraceae |
|
| Laurus nobilis | Laurus | Lauraceae |
|
Ingredient ID: NPC160461
Formula: C17H31N3O2
Ingredient ID: NPC160461
| Common Name | n.a. |
| IUPAC Name | (13S,17S)-17-[(1S)-1-hydroxypropyl]-1,5,10-triazabicyclo[11.4.0]heptadec-14-en-11-one |
| Canonical SMILES | CC[C@@H]([C@@H]1CC=C[C@H]2N1CCCNCCCCN=C(C2)O)O |
| Standard InCHI | InChI=1S/C17H31N3O2/c1-2-16(21)15-8-5-7-14-13-17(22)19-11-4-3-9-18-10-6-12-20(14)15/h5,7,14-16,18,21H,2-4,6,8-13H2,1H3,(H,19,22)/t14-,15+,16+/m1/s1 |
| Standard InCHIKey | YBZUGUWOQLUNKD-PMPSAXMXSA-N |
| Ingredient External Links |
PubChem CID: 442867 ZINC ID: ZINC000004098794 |
| Plant-Ingredient Association Reference |
Database: UNPD [] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Meconopsis punicea | Meconopsis | Papaveraceae |
|
| Euonymus alatus | Euonymus | Celastraceae |
|
| Papaver bracteatum | Papaver | Papaveraceae |
|
| Laurus nobilis | Laurus | Lauraceae |
|
Ingredient ID: NPC137419
Formula: C6H6O6
Ingredient ID: NPC137419
| Common Name | Aconitic Acid |
| IUPAC Name | (E)-prop-1-ene-1,2,3-tricarboxylic acid |
| Canonical SMILES | OC(=O)C/C(=CC(=O)O)/C(=O)O |
| Standard InCHI | InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+ |
| Standard InCHIKey | GTZCVFVGUGFEME-HNQUOIGGSA-N |
| Ingredient External Links |
PubChem CID: 444212 ChEMBL ID: CHEMBL153658 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD207708] Database: NPASS [NPC137419] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Capsicum annuum | Capsicum | Solanaceae |
|
| Meconopsis punicea | Meconopsis | Papaveraceae |
|
| Euonymus alatus | Euonymus | Celastraceae |
|
| Papaver bracteatum | Papaver | Papaveraceae |
|
| Laurus nobilis | Laurus | Lauraceae |
|
| Glycine max | Glycine | Fabaceae |
|
Ingredient ID: NPC131204
Formula: C11H15NO2
Ingredient ID: NPC131204
| Common Name | 6-Methoxy-2-Methyl-3,4-Dihydro-1H-Isoquinolin-7-Ol |
| IUPAC Name | 6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol |
| Canonical SMILES | COc1cc2CCN(Cc2cc1O)C |
| Standard InCHI | InChI=1S/C11H15NO2/c1-12-4-3-8-6-11(14-2)10(13)5-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3 |
| Standard InCHIKey | FELOSQQXIHRUSH-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 280225 ZINC ID: ZINC000000338406 ChEMBL ID: CHEMBL593001 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC131204] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Artabotrys maingayi | Artabotrys | Annonaceae |
|
| Thuja plicata | Thuja | Cupressaceae |
|
| Coleonema pulchellum | Coleonema | Rutaceae | |
| Tamarix chinensis | Tamarix | Tamaricaceae |
|
| Senna spectabilis | Senna | Fabaceae |
|
| Symphytum officinale | Symphytum | Boraginaceae |
|
| Psacalium peltatum | Psacalium | Asteraceae |
|
| Diospyros ebenum | Diospyros | Ebenaceae |
|
| Angelica dahurica | Angelica | Apiaceae |
|
| Corydalis ophiocarpa | Corydalis | Papaveraceae |
|
| Corydalis ternata | Corydalis | Papaveraceae | |
| Teclea sudanica | Teclea | Rutaceae | |
| Mezzettia leptopoda | Mezzettia | Annonaceae | |
| Stachys plumosa | Stachys | Lamiaceae | |
| Piper methysticum | Piper | Piperaceae |
|
| Lappula echinata | Lappula | Boraginaceae |
|
| Ligularia sagitta | Ligularia | Asteraceae |
|
| Corydalis pallida | Corydalis | Papaveraceae |
|
| Ulex airensis | Ulex | Fabaceae | |
| Papaver bracteatum | Papaver | Papaveraceae |
|
| Chaetomorpha moniligera | Chaetomorpha | Cladophoraceae |
Ingredient ID: NPC124336
Formula: C21H23NO6
Ingredient ID: NPC124336
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CO[C@H]1OC2c3cc(OC)c(cc3CCN[C@@H]2c2c1c1OCOc1cc2)OC |
| Standard InCHI | InChI=1S/C21H23NO6/c1-23-15-8-11-6-7-22-18-12-4-5-14-20(27-10-26-14)17(12)21(25-3)28-19(18)13(11)9-16(15)24-2/h4-5,8-9,18-19,21-22H,6-7,10H2,1-3H3/t18-,19?,21+/m1/s1 |
| Standard InCHIKey | JEUAVYPZVKRQOZ-DRPMKMPGSA-N |
| Ingredient External Links |
PubChem CID: 5320410 |
| Plant-Ingredient Association Reference |
Database: TCMID [16613] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Papaver commutatum | Papaver | Papaveraceae |
|
| Papaver bracteatum | Papaver | Papaveraceae |
|
| Papaver persicum | Papaver | Papaveraceae |
|
| Papaver somniferum | Papaver | Papaveraceae |
|
Ingredient ID: NPC122212
Formula: C6H6O6
Ingredient ID: NPC122212
| Common Name | n.a. |
| IUPAC Name | (Z)-prop-1-ene-1,2,3-tricarboxylic acid |
| Canonical SMILES | OC(=O)C/C(=C/C(=O)O)/C(=O)O |
| Standard InCHI | InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1- |
| Standard InCHIKey | GTZCVFVGUGFEME-IWQZZHSRSA-N |
| Ingredient External Links |
PubChem CID: 643757 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD155806] Database: NPASS [NPC122212] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Capsicum annuum | Capsicum | Solanaceae |
|
| Aconitum kusnezoffii reichb | Aconitum | Ranunculaceae | |
| Aconitum napellus | Aconitum | Ranunculaceae |
|
| Chaenomeles sinensis | Chaenomeles | Rosaceae |
|
| Meconopsis punicea | Meconopsis | Papaveraceae |
|
| Euonymus alatus | Euonymus | Celastraceae |
|
| Papaver bracteatum | Papaver | Papaveraceae |
|
| Laurus nobilis | Laurus | Lauraceae |
|
| Glycine max | Glycine | Fabaceae |
|
Ingredient ID: NPC119669
Formula: C12H15NO3
Ingredient ID: NPC119669
| Common Name | 6,7-Dimethoxy-2-Methyl-3,4-Dihydroisoquinolin-1-One |
| IUPAC Name | 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1-one |
| Canonical SMILES | COc1cc2c(cc1OC)CCN(C2=O)C |
| Standard InCHI | InChI=1S/C12H15NO3/c1-13-5-4-8-6-10(15-2)11(16-3)7-9(8)12(13)14/h6-7H,4-5H2,1-3H3 |
| Standard InCHIKey | BDIZBBGNYDRCCA-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 303906 ZINC ID: ZINC000000487565 ChEMBL ID: CHEMBL504722 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC119669] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Arcangelisia gusanlung | Arcangelisia | Menispermaceae |
|
| Hernandia sonora | Hernandia | Hernandiaceae |
|
| Menispermum dauricum | Menispermum | Menispermaceae |
|
| Papaver bracteatum | Papaver | Papaveraceae |
|
Ingredient ID: NPC108831
Formula: C21H20O10
Ingredient ID: NPC108831
| Common Name | n.a. |
| IUPAC Name | 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one |
| Canonical SMILES | O[C@H]1[C@@H](O[C@H]([C@@H]([C@H]1O)O)C)Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(cc1)O |
| Standard InCHI | InChI=1S/C21H20O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-6-12(23)14-13(7-11)31-20(18(27)16(14)25)9-2-4-10(22)5-3-9/h2-8,15,17,19,21-24,26-28H,1H3/t8-,15-,17+,19+,21-/m0/s1 |
| Standard InCHIKey | HQNOUCSPWAGQND-GKLNBGJFSA-N |
| Ingredient External Links |
PubChem CID: 25079965 ZINC ID: ZINC000059589077 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC108831] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Verbascum fruticulosum | Verbascum | Scrophulariaceae | |
| Ephedra sinica | Ephedra | Ephedraceae |
|
| Rhodiola crenulata | Rhodiola | Crassulaceae |
|
| Rosa roxburghii | Rosa | Rosaceae |
|
| Euphorbia micractina | Euphorbia | Euphorbiaceae | |
| Ginkgo biloba | Ginkgo | Ginkgoaceae |
|
| Neonotonia wightii | Neonotonia | Fabaceae |
|
| Meconopsis punicea | Meconopsis | Papaveraceae |
|
| Euonymus alatus | Euonymus | Celastraceae |
|
| Papaver bracteatum | Papaver | Papaveraceae |
|
| Urena lobata | Urena | Malvaceae |
|
| Laurus nobilis | Laurus | Lauraceae |
|
| Heliotropium bovei | Heliotropium | Heliotropiaceae | |
| Phaseolus vulgaris | Phaseolus | Fabaceae |
|
| Celastrus orbiculatus | Celastrus | Celastraceae |
|
| Embelia barbeyana | Embelia | Primulaceae |
|
| Cytisus caramanicus | Cytisus | Fabaceae |
Ingredient ID: NPC10636
Formula: C15H20O3
Ingredient ID: NPC10636
| Common Name | n.a. |
| IUPAC Name | (4aS,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one |
| Canonical SMILES | C=C1CCC[C@]2([C@H]1CC1=C(C)C(=O)O[C@]1(C2)O)C |
| Standard InCHI | InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1 |
| Standard InCHIKey | FBMORZZOJSDNRQ-GLQYFDAESA-N |
| Ingredient External Links |
PubChem CID: 155948 ZINC ID: ZINC000005373275 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC10636] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Lepidium apetalum | Lepidium | Brassicaceae |
|
| Atractylodes chinensis | Atractylodes | Asteraceae |
|
| Atractylodes lancea | Atractylodes | Asteraceae |
|
| Codonopsis pilosula | Codonopsis | Campanulaceae |
|
| Atractylodes macrocephala | Atractylodes | Asteraceae |
|
| Atractylodes macrocephala koidz | Atractylodes | Asteraceae | |
| Actinidia deliciosa | Actinidia | Actinidiaceae |
|
| Papaver bracteatum | Papaver | Papaveraceae |
|
| Codonopsis radix | Codonopsis | Campanulaceae | |
| Papaver somniferum | Papaver | Papaveraceae |
|
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NPC10636 | C15H20O3 | 248.1412445 | 1.0608 | 2.78 | 2.47 | 3 | 1 | 46.53 | 3 | 3 | 18 | 0 | |
| NPC108831 | C21H20O10 | 432.1056468 | -3.5878 | 2.67 | 1.51 | 10 | 6 | 166.14 | 10 | 4 | 31 | 1 | |
| NPC119669 | C12H15NO3 | 6,7-Dimethoxy-2-Methyl-3,4-Dihydroisoquinolin-1-One | 221.11 | -0.3689 | 2.34 | 0.914 | 2 | 0 | 38.77 | 5 | 2 | 16 | 0 |
| NPC122212 | C6H6O6 | 174.0164379 | -0.5191 | 1.46 | -1.034 | 6 | 3 | 111.9 | 7 | 0 | 12 | 0 | |
| NPC124336 | C21H23NO6 | 385.1525375 | -0.734 | 3 | 1.709 | 3 | 1 | 67.41 | 3 | 5 | 28 | 0 | |
| NPC131204 | C11H15NO2 | 6-Methoxy-2-Methyl-3,4-Dihydro-1H-Isoquinolin-7-Ol | 193.11 | -0.1178 | 2.34 | 0.768 | 1 | 1 | 32.7 | 4 | 2 | 14 | 0 |
| NPC137419 | C6H6O6 | Aconitic Acid | 174.02 | -0.5191 | 1.46 | -1.034 | 6 | 3 | 111.9 | 7 | 0 | 12 | 0 |
| NPC160461 | C17H31N3O2 | (13S,17S)-17-[(1S)-1-hydroxypropyl]-1,5,10-triazabicyclo[11.4.0]heptadec-14-en-11-one | 309.2416272 | -1.6206 | 2.78 | 1.086 | 5 | 3 | 68.09 | 2 | 2 | 22 | 0 |
| NPC182570 | C10H14N2 | Nicotine | 162.12 | -0.4993 | 2.34 | 1.485 | 2 | 0 | 16.13 | 2 | 2 | 12 | 0 |
| NPC184248 | C33H40O21 | 772.2062083 | -7.8859 | 2.78 | -2.296 | 16 | 13 | 344.67 | 9 | 6 | 54 | 2 | |
| NPC187107 | C33H40O20 | 756.2112937 | -7.4256 | 2.89 | -1.762 | 16 | 12 | 324.44 | 9 | 6 | 53 | 2 | |
| NPC199914 | C18H31N3O3 | 337.2365419 | -1.9039 | 2.78 | 0.878 | 6 | 2 | 76.37 | 3 | 2 | 24 | 0 | |
| NPC2073 | C18H21NO3 | (7S,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol | 299.1521435 | -0.19 | 3 | 0.433 | 4 | 1 | 41.93 | 1 | 5 | 22 | 0 |
| NPC227017 | C27H30O16 | 610.1533849 | -6.1787 | 2.67 | -0.928 | 12 | 10 | 265.52 | 7 | 5 | 43 | 2 | |
| NPC237031 | C17H31N3O2 | 309.2416272 | -1.6206 | 2.78 | 1.086 | 5 | 3 | 68.09 | 2 | 2 | 22 | 0 | |
| NPC237727 | C39H50O25 | 918.2641171 | -9.1725 | 3 | -3.299 | 21 | 15 | 403.59 | 12 | 7 | 64 | 3 | |
| NPC255607 | C19H21NO4 | Salutaridine | 327.15 | -0.6163 | 3 | 1.283 | 3 | 1 | 59 | 6 | 4 | 24 | 0 |
| NPC256853 | C2H6O2S | Methanesulfonylmethane | 94.01 | -0.2206 | 1.35 | 0.09 | 2 | 0 | 42.52 | 2 | 0 | 5 | 0 |
| NPC287657 | C18H31N3O3 | 337.2365419 | -1.9039 | 2.78 | 0.878 | 6 | 2 | 76.37 | 3 | 2 | 24 | 0 | |
| NPC33179 | C18H21NO3 | (4R,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,6,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol | 299.1521435 | -0.2143 | 3 | 0.57 | 2 | 1 | 41.93 | 1 | 5 | 22 | 0 |
| NPC40857 | C20H22N2O3 | 338.1630426 | -0.3222 | 3.11 | 1.832 | 5 | 0 | 49.85 | 2 | 5 | 25 | 0 | |
| NPC55600 | C41H63NO15 | 809.4197703 | -5.0286 | 4.21 | 0.871 | 16 | 6 | 239.05 | 12 | 7 | 57 | 3 | |
| NPC98680 | C27H30O16 | 610.1533849 | -6.1787 | 2.67 | -1.786 | 12 | 10 | 265.52 | 7 | 5 | 43 | 2 |
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
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