30 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.
15 Ingredients with Available Activity
Unique ingredients have activity data available.
Ingredient Structrual Cards
Ingredient ID: NPC99417
Formula: C20H21NO3
Ingredient ID: NPC99417
| Common Name | n.a. |
| IUPAC Name | 8,9-dimethoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole |
| Canonical SMILES | COc1cc2c(cc1OC)[nH]c1c2cc(C)c2c1C=CC(O2)(C)C |
| Standard InCHI | InChI=1S/C20H21NO3/c1-11-8-14-13-9-16(22-4)17(23-5)10-15(13)21-18(14)12-6-7-20(2,3)24-19(11)12/h6-10,21H,1-5H3 |
| Standard InCHIKey | IUZVYLWUISSZCS-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 278055 |
| Plant-Ingredient Association Reference |
Database: TCMID [12243] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Koelreuteria paniculata | Koelreuteria | Sapindaceae |
  |
| Murraya koenigii | Murraya | Rutaceae |
 |
Ingredient ID: NPC98755
Formula: C18H15NO2
Ingredient ID: NPC98755
| Common Name | n.a. |
| IUPAC Name | 3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde |
| Canonical SMILES | O=Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1 |
| Standard InCHI | InChI=1S/C18H15NO2/c1-18(2)8-7-13-16-14(9-11(10-20)17(13)21-18)12-5-3-4-6-15(12)19-16/h3-10,19H,1-2H3 |
| Standard InCHIKey | UBTAPPWQYRWQOH-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5319962 |
| Plant-Ingredient Association Reference |
Database: TCMID [15105] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Murraya koenigii | Murraya | Rutaceae |
|
Ingredient ID: NPC83421
Formula: C16H16O6
Ingredient ID: NPC83421
| Common Name | n.a. |
| IUPAC Name | 9-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one |
| Canonical SMILES | O=c1ccc2c(o1)c(OCC(C(O)(C)C)O)c1c(c2)cco1 |
| Standard InCHI | InChI=1S/C16H16O6/c1-16(2,19)11(17)8-21-15-13-10(5-6-20-13)7-9-3-4-12(18)22-14(9)15/h3-7,11,17,19H,8H2,1-2H3 |
| Standard InCHIKey | FOINLJRVEBYARJ-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 328236 |
| Plant-Ingredient Association Reference |
Database: TCMID [27791] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pleurospermum rivulorum | Pleurospermum | Apiaceae |
|
| Citrus trifoliata | Citrus | Rutaceae |
|
| Angelica dahurica | Angelica | Apiaceae |
|
| Boenninghausenia albiflora | Boenninghausenia | Rutaceae |
|
| Murraya koenigii | Murraya | Rutaceae |
|
Ingredient ID: NPC72211
Formula: C24H27NO2
Ingredient ID: NPC72211
| Common Name | (-)-O-Methylmahanine |
| IUPAC Name | (3R)-9-methoxy-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole |
| Canonical SMILES | COc1ccc2c(c1)[nH]c1c2cc(c2c1C=C[C@@](O2)(C)CCC=C(C)C)C |
| Standard InCHI | InChI=1S/C24H27NO2/c1-15(2)7-6-11-24(4)12-10-19-22-20(13-16(3)23(19)27-24)18-9-8-17(26-5)14-21(18)25-22/h7-10,12-14,25H,6,11H2,1-5H3/t24-/m1/s1 |
| Standard InCHIKey | JYCMSEXIUYQQTJ-XMMPIXPASA-N |
| Ingredient External Links |
PubChem CID: 71716235 ChEMBL ID: CHEMBL2323764 |
| Plant-Ingredient Association Reference |
PMID: 23376010 Database: NPASS [NPC72211] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Murraya koenigii | Murraya | Rutaceae |
|
Ingredient ID: NPC70956
Formula: C24H29NO2
Ingredient ID: NPC70956
| Common Name | Euchrestine B |
| IUPAC Name | 8-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-methoxy-3-methyl-9H-carbazol-2-ol |
| Canonical SMILES | COc1ccc2c(c1C/C=C(/CCC=C(C)C)C)[nH]c1c2cc(c(c1)O)C |
| Standard InCHI | InChI=1S/C24H29NO2/c1-15(2)7-6-8-16(3)9-10-19-23(27-5)12-11-18-20-13-17(4)22(26)14-21(20)25-24(18)19/h7,9,11-14,25-26H,6,8,10H2,1-5H3/b16-9+ |
| Standard InCHIKey | OFHARTBNOLXMFZ-CXUHLZMHSA-N |
| Ingredient External Links |
PubChem CID: 15060943 ChEMBL ID: CHEMBL2323766 |
| Plant-Ingredient Association Reference |
PMID: 23376010 Database: NPASS [NPC70956] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Murraya koenigii | Murraya | Rutaceae |
|
Ingredient ID: NPC70259
Formula: C23H25NO
Ingredient ID: NPC70259
| Common Name | (+)-Mahanimbicine |
| IUPAC Name | 3,8-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole |
| Canonical SMILES | CC(=CCCC1(C)C=Cc2c(O1)ccc1c2[nH]c2c1cc(cc2)C)C |
| Standard InCHI | InChI=1S/C23H25NO/c1-15(2)6-5-12-23(4)13-11-18-21(25-23)10-8-17-19-14-16(3)7-9-20(19)24-22(17)18/h6-11,13-14,24H,5,12H2,1-4H3 |
| Standard InCHIKey | YZBKHDJPIAYXQH-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 4072580 ChEMBL ID: CHEMBL2323762 |
| Plant-Ingredient Association Reference |
PMID: 23376010 Database: NPASS [NPC70259] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Magnolia biloba | Magnolia | Magnoliaceae |
|
| Murraya koenigii | Murraya | Rutaceae |
|
| Magnolia officinalis | Magnolia | Magnoliaceae |
|
Ingredient ID: NPC474409
Formula: C12H9NO
Ingredient ID: NPC474409
| Common Name | 9H-Carbazol-4-Ol |
| IUPAC Name | 9H-carbazol-4-ol |
| Canonical SMILES | Oc1cccc2c1c1ccccc1[nH]2 |
| Standard InCHI | InChI=1S/C12H9NO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h1-7,13-14H |
| Standard InCHIKey | UEOHATPGKDSULR-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 104251 ChEMBL ID: CHEMBL46723 |
| Plant-Ingredient Association Reference |
PMID: 23376010 Database: NPASS [NPC474409] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Murraya koenigii | Murraya | Rutaceae |
|
Ingredient ID: NPC470931
Formula: C23H25NO2
Ingredient ID: NPC470931
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | Oc1ccc2c(c1)n1c3c2cc(c2c3[C@H]3[C@H](C1(C)C)CC[C@@](C3)(O2)C)C |
| Standard InCHI | InChI=1S/C23H25NO2/c1-12-9-15-14-6-5-13(25)10-18(14)24-20(15)19-16-11-23(4,26-21(12)19)8-7-17(16)22(24,2)3/h5-6,9-10,16-17,25H,7-8,11H2,1-4H3/t16-,17-,23+/m1/s1 |
| Standard InCHIKey | YDUWCKHQORLZSO-QZMQVMSPSA-N |
| Ingredient External Links |
PubChem CID: 71717470 ChEMBL ID: CHEMBL2323767 |
| Plant-Ingredient Association Reference |
PMID: 23376010 Database: NPASS [NPC470931] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Murraya koenigii | Murraya | Rutaceae |
|
Ingredient ID: NPC470930
Formula: C24H27NO2
Ingredient ID: NPC470930
| Common Name | Murrayamine-B |
| IUPAC Name | 10-methoxy-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole |
| Canonical SMILES | COc1cccc2c1[nH]c1c2cc(c2c1C=CC(O2)(C)CCC=C(C)C)C |
| Standard InCHI | InChI=1S/C24H27NO2/c1-15(2)8-7-12-24(4)13-11-18-21-19(14-16(3)23(18)27-24)17-9-6-10-20(26-5)22(17)25-21/h6,8-11,13-14,25H,7,12H2,1-5H3 |
| Standard InCHIKey | PCARJFWVFUEFLY-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 14892675 ChEMBL ID: CHEMBL2323763 |
| Plant-Ingredient Association Reference |
PMID: 23376010 Database: NPASS [NPC470930] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Murraya koenigii | Murraya | Rutaceae |
|
Ingredient ID: NPC43787
Formula: C18H17NO
Ingredient ID: NPC43787
| Common Name | Grinimibine |
| IUPAC Name | 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole |
| Canonical SMILES | Cc1cc2c(c3c1OC(C)(C)C=C3)[nH]c1c2cccc1 |
| Standard InCHI | InChI=1S/C18H17NO/c1-11-10-14-12-6-4-5-7-15(12)19-16(14)13-8-9-18(2,3)20-17(11)13/h4-10,19H,1-3H3 |
| Standard InCHIKey | GAEQWKVGMHUUKO-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 96943 ChEMBL ID: CHEMBL1477760 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC43787] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Murraya siamensis | Murraya | Rutaceae |
|
| Clausena vestita | Clausena | Rutaceae | |
| Clausena harmandiana | Clausena | Rutaceae |
|
| Otholobium pubescens | Otholobium | Fabaceae | |
| Iris sanguinea | Iris | Iridaceae | |
| Rhododendron edgeworthii | Rhododendron | Ericaceae | |
| Populus candicans | Populus | Salicaceae | |
| Gutenbergia marginata | Gutenbergia | Asteraceae | |
| Griselinia scandens | Griselinia | Griseliniaceae | |
| Podocalyx loranthoides | Podocalyx | Picrodendraceae | |
| Trixis grisebachii | Trixis | Asteraceae | |
| Helicia erratica | Helicia | Proteaceae |
|
| Croton hutchinsonianus | Croton | Euphorbiaceae | |
| Cicer cuneatum | Cicer | Fabaceae | |
| Bulbine asphodeloides | Bulbine | Asphodelaceae |
|
| Ipomoea carnea | Ipomoea | Convolvulaceae |
|
| Yucca elata | Yucca | Asparagaceae |
|
| Panax ginseng | Panax | Araliaceae |
|
| Hyptis urticoides | Hyptis | Lamiaceae | |
| Monachosorum maximowiczii | Monachosorum | Dennstaedtiaceae | |
| Sarcophyton infundibuliforme | Sarcophyton | Orchidaceae | |
| Delphinium speciosum | Delphinium | Ranunculaceae | |
| Nardia scalaris | Nardia | Solenostomataceae | |
| Murraya koenigii | Murraya | Rutaceae |
|
Ingredient ID: NPC299767
Formula: C18H17NO2
Ingredient ID: NPC299767
| Common Name | n.a. |
| IUPAC Name | 8-methoxy-3,3-dimethyl-11H-pyrano[3,2-a]carbazole |
| Canonical SMILES | COc1ccc2c(c1)c1ccc3c(c1[nH]2)C=CC(O3)(C)C |
| Standard InCHI | InChI=1S/C18H17NO2/c1-18(2)9-8-13-16(21-18)7-5-12-14-10-11(20-3)4-6-15(14)19-17(12)13/h4-10,19H,1-3H3 |
| Standard InCHIKey | NYZYHTIXGLWAQT-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5318826 |
| Plant-Ingredient Association Reference |
Database: TCMID [31406] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Murraya koenigii | Murraya | Rutaceae |
|
Ingredient ID: NPC29008
Formula: C20H24O4
Ingredient ID: NPC29008
| Common Name | n.a. |
| IUPAC Name | (6R,7S,8S)-8-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol |
| Canonical SMILES | COc1cc2C[C@@H](C)[C@@H]([C@H](c2cc1O)c1ccc(c(c1)OC)O)C |
| Standard InCHI | InChI=1S/C20H24O4/c1-11-7-14-9-19(24-4)17(22)10-15(14)20(12(11)2)13-5-6-16(21)18(8-13)23-3/h5-6,8-12,20-22H,7H2,1-4H3/t11-,12+,20+/m1/s1 |
| Standard InCHIKey | TZAAYUCUPIYQBR-JGRMJRGVSA-N |
| Ingredient External Links |
PubChem CID: 11724027 ZINC ID: ZINC000034646124 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC29008] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Machilus thunbergii | Machilus | Lauraceae |
|
| Hyptis tomentosa | Hyptis | Lamiaceae |
|
| Cephalonoplos segetum | Cephanonoplos | Asteraceae |
|
| Machilus robusta | Machilus | Lauraceae | |
| Lens phaseoloides | Lens | Fabaceae | |
| Murraya koenigii | Murraya | Rutaceae |
|
| Ipomoea cristulata | Ipomoea | Convolvulaceae | |
| Lophozonia menziesii | Lophozonia | Nothofagaceae | |
| Myristica fragrans | Myristica | Myristicaceae |
|
| Rhodotypos scandens | Rhodotypos | Rosaceae | |
| Pancratium trianthum | Pancratium | Amaryllidaceae |
|
| Piper pedicellosum | Piper | Piperaceae |
|
| Xanthostemon oppositifolius | Xanthostemon | Myrtaceae | |
| Esenbeckia nesiotica | Esenbeckia | Rutaceae | |
| Catalpa bignonioides | Catalpa | Bignoniaceae |
|
| Helipterum tenellum | Helipterum | Asteraceae |
Ingredient ID: NPC277351
Formula: C38H36N2O6
Ingredient ID: NPC277351
| Common Name | n.a. |
| IUPAC Name | 10-(9-hydroxy-8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-10-yl)-8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol |
| Canonical SMILES | COc1cc2c(c(c1O)c1c(O)c(OC)cc3c1[nH]c1c3cc(c3c1C=CC(O3)(C)C)C)[nH]c1c2cc(C)c2c1C=CC(O2)(C)C |
| Standard InCHI | InChI=1S/C38H36N2O6/c1-17-13-21-23-15-25(43-7)33(41)27(31(23)39-29(21)19-9-11-37(3,4)45-35(17)19)28-32-24(16-26(44-8)34(28)42)22-14-18(2)36-20(30(22)40-32)10-12-38(5,6)46-36/h9-16,39-42H,1-8H3 |
| Standard InCHIKey | DQRAEENKHHFBHV-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 12967046 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC277351] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Murraya koenigii | Murraya | Rutaceae |
|
Ingredient ID: NPC276789
Formula: C12H22O11
Ingredient ID: NPC276789
| Common Name | n.a. |
| IUPAC Name | (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal |
| Canonical SMILES | O=C[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O)O)O |
| Standard InCHI | InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h1,4-12,14-21H,2-3H2/t4-,5+,6+,7+,8+,9+,10-,11+,12-/m0/s1 |
| Standard InCHIKey | AYRXSINWFIIFAE-YJOKQAJESA-N |
| Ingredient External Links |
PubChem CID: 5460022 |
| Plant-Ingredient Association Reference |
Database: TCMID [11520] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Eucommia ulmoides | Eucommia | Eucommiaceae |
|
| Murraya koenigii | Murraya | Rutaceae |
|
Ingredient ID: NPC250361
Formula: C12H9N
Ingredient ID: NPC250361
| Common Name | Carbazole |
| IUPAC Name | 9H-carbazole |
| Canonical SMILES | c1ccc2c(c1)[nH]c1c2cccc1 |
| Standard InCHI | InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H |
| Standard InCHIKey | UJOBWOGCFQCDNV-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 6854 ChEMBL ID: CHEMBL243580 |
| Plant-Ingredient Association Reference |
PMID: 23376010 Database: NPASS [NPC250361] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Murraya koenigii | Murraya | Rutaceae |
|
Ingredient ID: NPC246700
Formula: C23H27NO
Ingredient ID: NPC246700
| Common Name | Eustifoline C |
| IUPAC Name | 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methyl-9H-carbazol-3-ol |
| Canonical SMILES | C/C(=CCc1c(O)ccc2c1c1cc(C)ccc1[nH]2)/CCC=C(C)C |
| Standard InCHI | InChI=1S/C23H27NO/c1-15(2)6-5-7-16(3)8-10-18-22(25)13-12-21-23(18)19-14-17(4)9-11-20(19)24-21/h6,8-9,11-14,24-25H,5,7,10H2,1-4H3/b16-8+ |
| Standard InCHIKey | MFGOZKCFDYMVEK-LZYBPNLTSA-N |
| Ingredient External Links |
PubChem CID: 14635307 ChEMBL ID: CHEMBL2323765 |
| Plant-Ingredient Association Reference |
PMID: 23376010 Database: NPASS [NPC246700] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Murraya koenigii | Murraya | Rutaceae |
|
Ingredient ID: NPC24615
Formula: C20H26O6
Ingredient ID: NPC24615
| Common Name | n.a. |
| IUPAC Name | [3-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbutan-2-yl] 3-methylbutanoate |
| Canonical SMILES | COc1ccc2c(c1CC(C(O)(C)C)OC(=O)CC(C)C)oc(=O)cc2 |
| Standard InCHI | InChI=1S/C20H26O6/c1-12(2)10-18(22)25-16(20(3,4)23)11-14-15(24-5)8-6-13-7-9-17(21)26-19(13)14/h6-9,12,16,23H,10-11H2,1-5H3 |
| Standard InCHIKey | XAKVHDMPRFGESG-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 621354 |
| Plant-Ingredient Association Reference |
Database: TCMID [15113] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Murraya exotica | Murraya | Rutaceae |
|
| Murraya siamensis | Murraya | Rutaceae |
|
| Clausena excavata | Clausena | Rutaceae |
|
| Murraya paniculata | Murraya | Rutaceae |
|
| Murraya koenigii | Murraya | Rutaceae |
|
Ingredient ID: NPC242928
Formula: C14H13NO
Ingredient ID: NPC242928
| Common Name | Murrayafoline A |
| IUPAC Name | 1-methoxy-3-methyl-9H-carbazole |
| Canonical SMILES | COc1cc(C)cc2c1[nH]c1c2cccc1 |
| Standard InCHI | InChI=1S/C14H13NO/c1-9-7-11-10-5-3-4-6-12(10)15-14(11)13(8-9)16-2/h3-8,15H,1-2H3 |
| Standard InCHIKey | HDETUOZJFUNSKG-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 375150 ZINC ID: ZINC000001634346 ChEMBL ID: CHEMBL490667 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC242928] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Murraya kwangsiensis | Murraya | Rutaceae |
|
| Murraya euchrestifolia | Murraya | Rutaceae | |
| Murraya koenigii | Murraya | Rutaceae |
|
Ingredient ID: NPC232316
Formula: C20H26O4
Ingredient ID: NPC232316
| Common Name | Mesodihydroguaiaretic Acid |
| IUPAC Name | 4-[(2S,3R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol |
| Canonical SMILES | COc1cc(ccc1O)C[C@H]([C@H](Cc1ccc(c(c1)OC)O)C)C |
| Standard InCHI | InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14+ |
| Standard InCHIKey | ADFOLUXMYYCTRR-OKILXGFUSA-N |
| Ingredient External Links |
PubChem CID: 476856 ZINC ID: ZINC000015052537 ChEMBL ID: CHEMBL430464 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC232316] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Hyptis tomentosa | Hyptis | Lamiaceae |
|
| Cephalonoplos segetum | Cephanonoplos | Asteraceae |
|
| Schisandra glaucescens | Schisandra | Schisandraceae |
|
| Saururus chinensis | Saururus | Saururaceae |
|
| Machilus robusta | Machilus | Lauraceae | |
| Lens phaseoloides | Lens | Fabaceae | |
| Murraya koenigii | Murraya | Rutaceae |
|
| Ipomoea cristulata | Ipomoea | Convolvulaceae | |
| Lophozonia menziesii | Lophozonia | Nothofagaceae | |
| Myristica fragrans | Myristica | Myristicaceae |
|
| Rhodotypos scandens | Rhodotypos | Rosaceae | |
| Pancratium trianthum | Pancratium | Amaryllidaceae |
|
| Piper pedicellosum | Piper | Piperaceae |
|
| Xanthostemon oppositifolius | Xanthostemon | Myrtaceae | |
| Esenbeckia nesiotica | Esenbeckia | Rutaceae | |
| Schisandra chinensis | Schisandra | Schisandraceae |
|
| Catalpa bignonioides | Catalpa | Bignoniaceae |
|
| Helipterum tenellum | Helipterum | Asteraceae |
Ingredient ID: NPC205934
Formula: C23H25NO
Ingredient ID: NPC205934
| Common Name | Mahanimbine |
| IUPAC Name | 3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole |
| Canonical SMILES | CC(=CCCC1(C)C=Cc2c(O1)c(C)cc1c2[nH]c2c1cccc2)C |
| Standard InCHI | InChI=1S/C23H25NO/c1-15(2)8-7-12-23(4)13-11-18-21-19(14-16(3)22(18)25-23)17-9-5-6-10-20(17)24-21/h5-6,8-11,13-14,24H,7,12H2,1-4H3 |
| Standard InCHIKey | HTNVFUBCWIYPJN-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 167963 ChEMBL ID: CHEMBL495873 |
| Plant-Ingredient Association Reference |
PMID: 23376010 Database: NPASS [NPC205934] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Murraya exotica | Murraya | Rutaceae |
|
| Murraya siamensis | Murraya | Rutaceae |
|
| Murraya paniculata | Murraya | Rutaceae |
|
| Murraya euchrestifolia | Murraya | Rutaceae | |
| Murraya koenigii | Murraya | Rutaceae |
|
Ingredient ID: NPC187501
Formula: C14H11NO2
Ingredient ID: NPC187501
| Common Name | Murrayanine |
| IUPAC Name | 1-methoxy-9H-carbazole-3-carbaldehyde |
| Canonical SMILES | COc1cc(C=O)cc2c1[nH]c1c2cccc1 |
| Standard InCHI | InChI=1S/C14H11NO2/c1-17-13-7-9(8-16)6-11-10-4-2-3-5-12(10)15-14(11)13/h2-8,15H,1H3 |
| Standard InCHIKey | FWNZQNAJETXQPP-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 96942 ChEMBL ID: CHEMBL1689802 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC187501] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Murraya siamensis | Murraya | Rutaceae |
|
| Clausena excavata | Clausena | Rutaceae |
|
| Clausena harmandiana | Clausena | Rutaceae |
|
| Clausena lansium | Clausena | Rutaceae |
|
| Murraya paniculata | Murraya | Rutaceae |
|
| Murraya koenigii | Murraya | Rutaceae |
|
Ingredient ID: NPC179015
Formula: C16H14O5
Ingredient ID: NPC179015
| Common Name | n.a. |
| IUPAC Name | 9-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one |
| Canonical SMILES | O=c1ccc2c(o1)c(OC[C@H]1OC1(C)C)c1c(c2)cco1 |
| Standard InCHI | InChI=1S/C16H14O5/c1-16(2)11(21-16)8-19-15-13-10(5-6-18-13)7-9-3-4-12(17)20-14(9)15/h3-7,11H,8H2,1-2H3/t11-/m1/s1 |
| Standard InCHIKey | CTJZWFCPUDPLME-LLVKDONJSA-N |
| Ingredient External Links |
PubChem CID: 458010 ZINC ID: ZINC000000518797 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC179015] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Prangos pabularia | Prangos | Apiaceae |
|
| Citrus trifoliata | Citrus | Rutaceae |
|
| Angelica ursina | Angelica | Apiaceae |
|
| Angelica dahurica | Angelica | Apiaceae |
|
| Murraya koenigii | Murraya | Rutaceae |
|
| Glehnia littoralis | Glehnia | Apiaceae |
|
Ingredient ID: NPC162484
Formula: C19H19NO2
Ingredient ID: NPC162484
| Common Name | Koenimbine |
| IUPAC Name | 8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole |
| Canonical SMILES | COc1ccc2c(c1)c1cc(C)c3c(c1[nH]2)C=CC(O3)(C)C |
| Standard InCHI | InChI=1S/C19H19NO2/c1-11-9-15-14-10-12(21-4)5-6-16(14)20-17(15)13-7-8-19(2,3)22-18(11)13/h5-10,20H,1-4H3 |
| Standard InCHIKey | OSERHKINMDLESD-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 97487 ChEMBL ID: CHEMBL2323768 |
| Plant-Ingredient Association Reference |
PMID: 23376010 Database: NPASS [NPC162484] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Murraya koenigii | Murraya | Rutaceae |
|
Ingredient ID: NPC160529
Formula: C18H17NO2
Ingredient ID: NPC160529
| Common Name | n.a. |
| IUPAC Name | 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol |
| Canonical SMILES | Oc1ccc2c(c1)c1cc(C)c3c(c1[nH]2)C=CC(O3)(C)C |
| Standard InCHI | InChI=1S/C18H17NO2/c1-10-8-14-13-9-11(20)4-5-15(13)19-16(14)12-6-7-18(2,3)21-17(10)12/h4-9,19-20H,1-3H3 |
| Standard InCHIKey | VISKLVOLGCYFCW-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5318827 |
| Plant-Ingredient Association Reference |
Database: TCMID [12246] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Murraya kwangsiensis | Murraya | Rutaceae |
|
| Murraya koenigii | Murraya | Rutaceae |
|
Ingredient ID: NPC128408
Formula: C22H25NO2
Ingredient ID: NPC128408
| Common Name | n.a. |
| IUPAC Name | 4-(3,8-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl)-2-methylbutan-2-ol |
| Canonical SMILES | Cc1ccc2c(c1)c1ccc3c(c1[nH]2)C=CC(O3)(C)CCC(O)(C)C |
| Standard InCHI | InChI=1S/C22H25NO2/c1-14-5-7-18-17(13-14)15-6-8-19-16(20(15)23-18)9-10-22(4,25-19)12-11-21(2,3)24/h5-10,13,23-24H,11-12H2,1-4H3 |
| Standard InCHIKey | SLEYKBUTYBQPSN-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5319215 |
| Plant-Ingredient Association Reference |
Database: TCMID [13392] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Murraya exotica | Murraya | Rutaceae |
|
| Murraya koenigii | Murraya | Rutaceae |
|
Ingredient ID: NPC127326
Formula: C10H10O2
Ingredient ID: NPC127326
| Common Name | Isosafrole |
| IUPAC Name | 5-[(E)-prop-1-enyl]-1,3-benzodioxole |
| Canonical SMILES | C/C=C/c1ccc2c(c1)OCO2 |
| Standard InCHI | InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+ |
| Standard InCHIKey | VHVOLFRBFDOUSH-NSCUHMNNSA-N |
| Ingredient External Links |
PubChem CID: 637796 ZINC ID: ZINC000000389532 ChEMBL ID: CHEMBL487603 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC127326] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Asarum heterotropoides | Asarum | Aristolochiaceae | |
| Artemisia rupestris | Artemisia | Asteraceae |
|
| Angelica acutiloba | Angelica | Apiaceae |
|
| Murraya koenigii | Murraya | Rutaceae |
|
| Myristica fragrans | Myristica | Myristicaceae |
|
| Asarum sieboldii | Asarum | Aristolochiaceae |
|
Ingredient ID: NPC125611
Formula: C27H44O6
Ingredient ID: NPC125611
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | C[C@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@]3([C@]([C@H]1CC2)(C)[C@H](O)[C@@H]([C@@H](C3)O)O)O)C |
| Standard InCHI | InChI=1S/C27H44O6/c1-14-5-10-27(32-13-14)15(2)21-20(33-27)11-18-16-6-9-26(31)12-19(28)22(29)23(30)25(26,4)17(16)7-8-24(18,21)3/h14-23,28-31H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,19+,20-,21-,22+,23+,24-,25-,26-,27+/m0/s1 |
| Standard InCHIKey | OJOIREGWGDMNGQ-HRWDTOBOSA-N |
| Ingredient External Links |
PubChem CID: 11812629 |
| Plant-Ingredient Association Reference |
Database: TCMID [12247] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Dioscorea tokoro | Dioscorea | Dioscoreaceae |
|
| Murraya koenigii | Murraya | Rutaceae |
|
Ingredient ID: NPC123919
Formula: C19H19NO3
Ingredient ID: NPC123919
| Common Name | n.a. |
| IUPAC Name | 8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol |
| Canonical SMILES | COc1cc2c(cc1O)[nH]c1c2cc(C)c2c1C=CC(O2)(C)C |
| Standard InCHI | InChI=1S/C19H19NO3/c1-10-7-13-12-8-16(22-4)15(21)9-14(12)20-17(13)11-5-6-19(2,3)23-18(10)11/h5-9,20-21H,1-4H3 |
| Standard InCHIKey | CZZZOTXCAIDYOZ-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5318825 |
| Plant-Ingredient Association Reference |
Database: TCMID [12244] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Murraya koenigii | Murraya | Rutaceae |
|
Ingredient ID: NPC100576
Formula: C30H31NO7
Ingredient ID: NPC100576
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OC[C@H]1[C@@H](Oc2c1c1[nH]c3c(c1cc2OC)cc(c1c3C=CC(O1)(C)C)C)c1cc(OC)c(c(c1)OC)O |
| Standard InCHI | InChI=1S/C30H31NO7/c1-14-9-17-18-12-22(36-6)29-23(25(18)31-24(17)16-7-8-30(2,3)38-27(14)16)19(13-32)28(37-29)15-10-20(34-4)26(33)21(11-15)35-5/h7-12,19,28,31-33H,13H2,1-6H3/t19-,28+/m1/s1 |
| Standard InCHIKey | XEHPAUJBOXMPQU-GDJIYFAZSA-N |
| Ingredient External Links |
PubChem CID: 638195 |
| Plant-Ingredient Association Reference |
Database: TCMID [15110] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Murraya kwangsiensis | Murraya | Rutaceae |
|
| Murraya siamensis | Murraya | Rutaceae |
|
| Clausena excavata | Clausena | Rutaceae |
|
| Murraya paniculata | Murraya | Rutaceae |
|
| Murraya euchrestifolia | Murraya | Rutaceae | |
| Murraya koenigii | Murraya | Rutaceae |
|
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NPC100576 | C30H31NO7 | 517.2100523 | -0.4456 | 3.88 | 2.78 | 2 | 3 | 102.4 | 5 | 6 | 38 | 0 | |
| NPC123919 | C19H19NO3 | 309.1364935 | 0.6173 | 3.11 | 2.798 | 4 | 2 | 54.48 | 1 | 4 | 23 | 0 | |
| NPC125611 | C27H44O6 | 464.3137891 | -0.8941 | 3.77 | 4.139 | 6 | 4 | 99.38 | 0 | 6 | 33 | 0 | |
| NPC127326 | C10H10O2 | Isosafrole | 162.07 | 0.6046 | 2.34 | 3.251 | 0 | 0 | 18.46 | 2 | 2 | 12 | 0 |
| NPC128408 | C22H25NO2 | 4-(3,8-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl)-2-methylbutan-2-ol | 335.188529 | 1.3349 | 3.55 | 5.088 | 2 | 2 | 45.25 | 3 | 4 | 25 | 1 |
| NPC160529 | C18H17NO2 | 3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol | 279.1259288 | 0.6691 | 3.11 | 3.242 | 1 | 2 | 45.25 | 0 | 4 | 21 | 0 |
| NPC162484 | C19H19NO2 | Koenimbine | 293.14 | 1.0776 | 3.22 | 3.761 | 1 | 1 | 34.25 | 5 | 4 | 22 | 0 |
| NPC179015 | C16H14O5 | 286.0841235 | 0.363 | 2.67 | 2.204 | 2 | 0 | 61.2 | 5 | 4 | 21 | 0 | |
| NPC187501 | C14H11NO2 | Murrayanine | 225.08 | -0.6646 | 2.67 | 3.074 | 2 | 1 | 42.09 | 3 | 3 | 17 | 0 |
| NPC205934 | C23H25NO | Mahanimbine | 331.19 | 2.7573 | 3.77 | 6.132 | 1 | 1 | 25.02 | 7 | 4 | 25 | 1 |
| NPC232316 | C20H26O4 | Mesodihydroguaiaretic Acid | 330.18 | -0.115 | 3.22 | 5.238 | 0 | 2 | 58.92 | 13 | 2 | 24 | 1 |
| NPC242928 | C14H13NO | Murrayafoline A | 211.1 | 0.1698 | 2.78 | 3.746 | 1 | 1 | 25.02 | 3 | 3 | 16 | 0 |
| NPC24615 | C20H26O6 | [3-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbutan-2-yl] 3-methylbutanoate | 362.1729386 | 0.8806 | 3 | 3.664 | 4 | 1 | 82.06 | 8 | 2 | 26 | 0 |
| NPC246700 | C23H27NO | Eustifoline C | 333.21 | 2.8709 | 3.77 | 6.519 | 1 | 2 | 36.02 | 10 | 3 | 25 | 1 |
| NPC250361 | C12H9N | Carbazole | 167.07 | -0.4204 | 2.67 | 4.078 | 1 | 1 | 15.79 | 0 | 3 | 13 | 0 |
| NPC276789 | C12H22O11 | (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal | 342.1162115 | -4.5375 | 1.57 | -4.433 | 11 | 8 | 197.37 | 8 | 1 | 23 | 2 |
| NPC277351 | C38H36N2O6 | 616.26 | 1.2346 | 4.76 | 4.764 | 2 | 4 | 108.96 | 13 | 8 | 46 | 0 | |
| NPC29008 | C20H24O4 | 328.1674592 | -0.4377 | 3.22 | 4.591 | 0 | 2 | 58.92 | 9 | 3 | 24 | 0 | |
| NPC299767 | C18H17NO2 | 279.1259288 | 0.4356 | 3.11 | 3.649 | 3 | 1 | 34.25 | 1 | 4 | 21 | 0 | |
| NPC43787 | C18H17NO | Grinimibine | 263.13 | 1.1294 | 3.22 | 4.416 | 1 | 1 | 25.02 | 3 | 4 | 20 | 0 |
| NPC470930 | C24H27NO2 | Murrayamine-B | 361.2 | 2.7055 | 3.77 | 5.477 | 1 | 1 | 34.25 | 9 | 4 | 27 | 1 |
| NPC470931 | C23H25NO2 | 347.19 | 1.0227 | 3.66 | 4.528 | 1 | 1 | 34.39 | 5 | 6 | 26 | 0 | |
| NPC474409 | C12H9NO | 9H-Carbazol-4-Ol | 183.07 | -0.8807 | 2.56 | 2.904 | 1 | 2 | 36.02 | 1 | 3 | 14 | 0 |
| NPC70259 | C23H25NO | (+)-Mahanimbicine | 331.19 | 2.7573 | 3.77 | 6.343 | 1 | 1 | 25.02 | 7 | 4 | 25 | 1 |
| NPC70956 | C24H29NO2 | Euchrestine B | 363.22 | 2.8191 | 3.77 | 5.653 | 1 | 2 | 45.25 | 12 | 3 | 27 | 1 |
| NPC72211 | C24H27NO2 | (-)-O-Methylmahanine | 361.2 | 2.7055 | 3.77 | 5.477 | 1 | 1 | 34.25 | 9 | 4 | 27 | 1 |
| NPC83421 | C16H16O6 | 9-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one | 304.0946882 | -0.4035 | 2.56 | 1.186 | 3 | 2 | 89.13 | 4 | 3 | 22 | 0 |
| NPC98755 | C18H15NO2 | 277.1102787 | 0.295 | 3.11 | 3.955 | 3 | 1 | 42.09 | 1 | 4 | 21 | 0 | |
| NPC99417 | C20H21NO3 | 323.1521435 | 1.0258 | 3.22 | 3.317 | 4 | 1 | 43.48 | 2 | 4 | 24 | 0 |
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
→ Then click the download button.
