CMAUP Plant Ingredients

19 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.

13 Ingredients with Available Activity

Unique ingredients have activity data available.

Ingredient Structrual Cards

Ingredient ID: NPC82457
Formula: C36H38N2O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1cc2CCN[C@H]3c2c(c1O)Oc1cc2c(cc1OC)CCN([C@H]2Cc1ccc(Oc2cc(C3)ccc2OC)cc1)C
Standard InCHI	InChI=1S/C36H38N2O6/c1-38-14-12-23-18-30(41-3)32-20-26(23)28(38)16-21-5-8-25(9-6-21)43-31-17-22(7-10-29(31)40-2)15-27-34-24(11-13-37-27)19-33(42-4)35(39)36(34)44-32/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3/t27-,28+/m1/s1
Standard InCHIKey	VPIWCSVVIJIYRD-IZLXSDGUSA-N
Ingredient External Links	PubChem CID: 13890733 ChEMBL ID: CHEMBL449198
Plant-Ingredient Association Reference	PMID: 8450319 Database: NPASS [NPC82457]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Stephania erecta	Stephania	Menispermaceae
Pycnarrhena ozantha	Pycnarrhena	Menispermaceae

Ingredient ID: NPC76682
Formula: C38H42N2O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@H]3N(CC2)C)ccc4OC)cc1)C
Standard InCHI	InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m0/s1
Standard InCHIKey	WVTKBKWTSCPRNU-XZWHSSHBSA-N
Ingredient External Links	PubChem CID: 457825 ChEMBL ID: CHEMBL449690
Plant-Ingredient Association Reference	PMID: 8450319 Database: NPASS [NPC76682]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Dunaliella salina	Dunaliella	Dunaliellaceae
Panax quinquefolius	Panax	Araliaceae
Pilosocereus chrysacanthus	Pilosocereus	Cactaceae
Stephania erecta	Stephania	Menispermaceae

Ingredient ID: NPC73492
Formula: C37H38N2O6

Common Name	Cepharanthine
IUPAC Name	n.a.
Canonical SMILES	COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C
Standard InCHI	InChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1
Standard InCHIKey	YVPXVXANRNDGTA-WDYNHAJCSA-N
Ingredient External Links	PubChem CID: 10206 ZINC ID: ZINC000030726863 ChEMBL ID: CHEMBL449782
Plant-Ingredient Association Reference	PMID: 8450319 Database: NPASS [NPC73492]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Sphaerophysa salsula	Sphaerophysa	Fabaceae
Euphorbia characias subsp. wulfenii	Euphorbia	Euphorbiaceae
Doronicum grandiflorum	Doronicum	Asteraceae
Oxytropis lanata	Oxytropis	Fabaceae
Populus balsamifera	Populus	Salicaceae
Strychnos gossweileri	Strychnos	Loganiaceae
Leibnitzia anandria	Leibnitzia	Asteraceae
Lithocarpus haipinii	Lithocarpus	Fagaceae
Stephania epigaea	Stephania	Menispermaceae
Stephania erecta	Stephania	Menispermaceae
Stephania cepharantha	Stephania	Menispermaceae
Ardisia hortorum	Ardisia	Primulaceae
Stephania delavayi	Stephania	Menispermaceae

Ingredient ID: NPC67578
Formula: C14H18O3

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	C/C=C/C#CC#C[C@@H]([C@@H](/C=C/CCCO)O)O
Standard InCHI	InChI=1S/C14H18O3/c1-2-3-4-5-7-10-13(16)14(17)11-8-6-9-12-15/h2-3,8,11,13-17H,6,9,12H2,1H3/b3-2+,11-8+/t13-,14+/m0/s1
Standard InCHIKey	RKOQCMNXJZJWBU-WDSQZYDDSA-N
Ingredient External Links	ZINC ID: ZINC000001631509
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Stephania erecta	Stephania	Menispermaceae
Platycodon grandiforus	Platycodon	Campanulaceae

Ingredient ID: NPC66535
Formula: C37H40N2O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1cc2CCN(C3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc(c1O)OC)C
Standard InCHI	InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)17-23-8-11-30(41-3)32(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28?,29-/m0/s1
Standard InCHIKey	YJRWQNIRFXVBRB-XIJSCUBXSA-N
Ingredient External Links	PubChem CID: 10054445
Plant-Ingredient Association Reference	Database: TCMID [9596]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Thalictrum minus var. hypoleucum	Thalictrum	Ranunculaceae
Albertisia papuana	Albertisia	Menispermaceae
Stephania erecta	Stephania	Menispermaceae
Cyclea barbata	Cyclea	Menispermaceae
Thalictrum lucidum	Thalictrum	Ranunculaceae

Ingredient ID: NPC63646
Formula: C38H42N2O6

Common Name	Obaberine
IUPAC Name	n.a.
Canonical SMILES	COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc(c1OC)OC)C
Standard InCHI	InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)18-24-9-12-31(41-3)33(19-24)45-27-10-7-23(8-11-27)17-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m1/s1
Standard InCHIKey	FBCXFKWMGIWMJQ-IHLOFXLRSA-N
Ingredient External Links	PubChem CID: 100231 ZINC ID: ZINC000030726940 ChEMBL ID: CHEMBL464525
Plant-Ingredient Association Reference	PMID: 8450319 Database: NPASS [NPC63646]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Sphaerophysa salsula	Sphaerophysa	Fabaceae
Euphorbia characias subsp. wulfenii	Euphorbia	Euphorbiaceae
Doronicum grandiflorum	Doronicum	Asteraceae
Oxytropis lanata	Oxytropis	Fabaceae
Populus balsamifera	Populus	Salicaceae
Strychnos gossweileri	Strychnos	Loganiaceae
Leibnitzia anandria	Leibnitzia	Asteraceae
Lithocarpus haipinii	Lithocarpus	Fagaceae
Stephania erecta	Stephania	Menispermaceae
Thalictrum lucidum	Thalictrum	Ranunculaceae
Ardisia hortorum	Ardisia	Primulaceae

Ingredient ID: NPC475479
Formula: C37H40N2O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1cc2CCN[C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc(c1OC)OC
Standard InCHI	InChI=1S/C37H40N2O6/c1-39-15-13-25-20-34(42-4)36(43-5)37-35(25)29(39)17-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)40-2)16-28-27-21-33(45-37)31(41-3)19-24(27)12-14-38-28/h6-11,18-21,28-29,38H,12-17H2,1-5H3/t28-,29+/m1/s1
Standard InCHIKey	ULYPVLZRRZENPT-WDYNHAJCSA-N
Ingredient External Links	PubChem CID: 21582958 ChEMBL ID: CHEMBL506363
Plant-Ingredient Association Reference	PMID: 8450319 Database: NPASS [NPC475479]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Stephania erecta	Stephania	Menispermaceae

Ingredient ID: NPC311973
Formula: C37H40N2O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc(c1OC)O)C
Standard InCHI	InChI=1S/C37H40N2O6/c1-38-14-12-24-20-32(42-4)34-21-27(24)28(38)17-23-8-11-31(41-3)33(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)19-30(40)36(43-5)37(35)45-34/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1
Standard InCHIKey	VXPVPAHQYCJDTP-WDYNHAJCSA-N
Ingredient External Links	PubChem CID: 9938773 ChEMBL ID: CHEMBL463946
Plant-Ingredient Association Reference	PMID: 8450319 Database: NPASS [NPC311973]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Stephania erecta	Stephania	Menispermaceae

Ingredient ID: NPC295432
Formula: C14H16O3

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O=CCC/C=C/[C@H]([C@H](C#CC#C/C=C/C)O)O
Standard InCHI	InChI=1S/C14H16O3/c1-2-3-4-5-7-10-13(16)14(17)11-8-6-9-12-15/h2-3,8,11-14,16-17H,6,9H2,1H3/b3-2+,11-8+/t13-,14+/m0/s1
Standard InCHIKey	QMRUCWGOZVOSBO-WDSQZYDDSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD164134]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Stephania erecta	Stephania	Menispermaceae

Ingredient ID: NPC290582
Formula: C37H40N2O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1cc2CCN([C@H]3c2c(c1O)Oc1cc2c(cc1OC)CCN([C@H]2Cc1ccc(Oc2cc(C3)ccc2OC)cc1)C)C
Standard InCHI	InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)41-3)17-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1
Standard InCHIKey	IIQSJHUEZBTSAT-URLMMPGGSA-N
Ingredient External Links	PubChem CID: 100257 ZINC ID: ZINC000040163549 ChEMBL ID: CHEMBL500614
Plant-Ingredient Association Reference	PMID: 8450319 Database: NPASS [NPC290582]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Anaxagorea luzonensis	Anaxagorea	Annonaceae
Argyreia nervosa	Argyreia	Convolvulaceae
Erythrina chiriquensis	Erythrina	Fabaceae
Stephania tetrandra	Stephania	Menispermaceae
Bupleurum scorzonerifolium	Bupleurum	Apiaceae
Croton regelianus	Croton	Euphorbiaceae
Aristolochia heterophylla	Aristolochia	Aristolochiaceae
Sphaerophysa salsula	Sphaerophysa	Fabaceae
Euphorbia characias subsp. wulfenii	Euphorbia	Euphorbiaceae
Doronicum grandiflorum	Doronicum	Asteraceae
Coleonema pulchellum	Coleonema	Rutaceae
Oxytropis lanata	Oxytropis	Fabaceae
Populus balsamifera	Populus	Salicaceae
Strychnos gossweileri	Strychnos	Loganiaceae
Tamarix chinensis	Tamarix	Tamaricaceae
Leibnitzia anandria	Leibnitzia	Asteraceae
Phelipanche arenaria	Phelipanche	Orobanchaceae
Lithocarpus haipinii	Lithocarpus	Fagaceae
Carapichea ipecacuanha	Carapichea	Rubiaceae
Stephania erecta	Stephania	Menispermaceae
Lathyrus aphaca	Lathyrus	Fabaceae
Melianthus major	Melianthus	Melianthaceae
Cyclea barbata	Cyclea	Menispermaceae
Acronychia muelleri	Acronychia	Rutaceae
Ardisia hortorum	Ardisia	Primulaceae
Phoradendron reichenbachianum	Phoradendron	Viscaceae
Elettaria cardamomum	Elettaria	Zingiberaceae

Ingredient ID: NPC281581
Formula: C36H36N2O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1cc2CCN[C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2
Standard InCHI	InChI=1S/C36H36N2O6/c1-38-13-11-24-18-33-35(42-20-41-33)36-34(24)28(38)15-21-4-7-25(8-5-21)43-31-16-22(6-9-29(31)39-2)14-27-26-19-32(44-36)30(40-3)17-23(26)10-12-37-27/h4-9,16-19,27-28,37H,10-15,20H2,1-3H3/t27-,28+/m1/s1
Standard InCHIKey	ZKIAZXMDELJIMQ-IZLXSDGUSA-N
Ingredient External Links	PubChem CID: 181384 ChEMBL ID: CHEMBL505900
Plant-Ingredient Association Reference	PMID: 8450319 Database: NPASS [NPC281581]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Stephania epigaea	Stephania	Menispermaceae
Stephania erecta	Stephania	Menispermaceae

Ingredient ID: NPC274661
Formula: C36H38N2O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1cc2CCN[C@H]3c2cc1Oc1c2c(CCN([C@@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc(c1O)OC
Standard InCHI	InChI=1S/C36H38N2O6/c1-38-14-12-24-19-33(42-4)35(39)36-34(24)28(38)16-21-5-8-25(9-6-21)43-31-17-22(7-10-29(31)40-2)15-27-26-20-32(44-36)30(41-3)18-23(26)11-13-37-27/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3/t27-,28-/m1/s1
Standard InCHIKey	REKCBEFSIKOPTD-VSGBNLITSA-N
Ingredient External Links	PubChem CID: 176582 ChEMBL ID: CHEMBL502441
Plant-Ingredient Association Reference	PMID: 8450319 Database: NPASS [NPC274661]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Stephania erecta	Stephania	Menispermaceae

Ingredient ID: NPC271013
Formula: C37H40N2O6

Common Name	Homoaromoline
IUPAC Name	n.a.
Canonical SMILES	COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc(c1O)OC)C
Standard InCHI	InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)17-23-8-11-30(41-3)32(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1
Standard InCHIKey	YJRWQNIRFXVBRB-WDYNHAJCSA-N
Ingredient External Links	PubChem CID: 99620 ZINC ID: ZINC000042851784 ChEMBL ID: CHEMBL509855
Plant-Ingredient Association Reference	PMID: 8450319 Database: NPASS [NPC271013]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Coleonema pulchellum	Coleonema	Rutaceae
Tamarix chinensis	Tamarix	Tamaricaceae
Stephania epigaea	Stephania	Menispermaceae
Stephania erecta	Stephania	Menispermaceae
Citrus yuko	Citrus	Rutaceae
Magnolia ovata	Magnolia	Magnoliaceae
Thalictrum thunbergii	Thalictrum	Ranunculaceae
Stephania cepharantha	Stephania	Menispermaceae
Cyclea barbata	Cyclea	Menispermaceae
Thalictrum lucidum	Thalictrum	Ranunculaceae

Ingredient ID: NPC249996
Formula: C35H32N2O5

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1N(C)CCc3c1c1Oc4cc5C(=NCCc5cc4Oc1c(c3)OC)C2
Standard InCHI	InChI=1S/C35H32N2O5/c1-37-13-11-23-18-32(39-3)34-35-33(23)27(37)15-20-4-7-24(8-5-20)40-29-16-21(6-9-28(29)38-2)14-26-25-19-31(42-35)30(41-34)17-22(25)10-12-36-26/h4-9,16-19,27H,10-15H2,1-3H3/t27-/m0/s1
Standard InCHIKey	KRRIBHWRCGOGAF-MHZLTWQESA-N
Ingredient External Links	PubChem CID: 10415402 ChEMBL ID: CHEMBL452663
Plant-Ingredient Association Reference	PMID: 8450319 Database: NPASS [NPC249996]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Stephania erecta	Stephania	Menispermaceae

Ingredient ID: NPC243454
Formula: C37H40N2O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@H]3NCC2)ccc4OC)cc1)C
Standard InCHI	InChI=1S/C37H40N2O6/c1-39-15-13-24-19-31(41-3)33-21-27(24)29(39)17-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)40-2)16-28-35-25(12-14-38-28)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,38H,12-17H2,1-5H3/t28-,29+/m1/s1
Standard InCHIKey	BIQLCSCFEQRHME-WDYNHAJCSA-N
Ingredient External Links	PubChem CID: 9960485 ChEMBL ID: CHEMBL450175
Plant-Ingredient Association Reference	PMID: 8450319 Database: NPASS [NPC243454]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Stephania erecta	Stephania	Menispermaceae

Ingredient ID: NPC239584
Formula: C35H34N2O5

Common Name	Trilobine
IUPAC Name	n.a.
Canonical SMILES	COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1NCCc3c1c1Oc4cc5[C@H](C2)N(C)CCc5cc4Oc1c(c3)OC
Standard InCHI	InChI=1S/C35H34N2O5/c1-37-13-11-22-17-30-31-19-25(22)27(37)15-21-6-9-28(38-2)29(16-21)40-24-7-4-20(5-8-24)14-26-33-23(10-12-36-26)18-32(39-3)34(41-30)35(33)42-31/h4-9,16-19,26-27,36H,10-15H2,1-3H3/t26-,27-/m0/s1
Standard InCHIKey	XZAXGQMTBGFTFE-SVBPBHIXSA-N
Ingredient External Links	PubChem CID: 169007 ChEMBL ID: CHEMBL500324
Plant-Ingredient Association Reference	PMID: 8450319 Database: NPASS [NPC239584]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tristania conferta	Tristania	Myrtaceae
Plectranthus myrianthus	Plectranthus	Lamiaceae
Pentaclethra macrophylla	Pentaclethra	Fabaceae
Veronica polita	Veronica	Plantaginaceae
Glycosmis macrophylla	Glycosmis	Rutaceae
Stephania zippeliana	Stephania	Menispermaceae
Solanum lasiocarpum	Solanum	Solanaceae
Eucalyptus apodophylla	Eucalyptus	Myrtaceae
Hypericum polyanthemum	Hypericum	Hypericaceae
Distephanus angulifolius	Distephanus	Asteraceae
Periploca sepium	Periploca	Apocynaceae
Campylotropis hirtella	Campylotropis	Fabaceae
Glycyrrhiza inflata	Glycyrrhiza	Fabaceae
Breonia chinensis	Breonia	Rubiaceae
Mentha cardiaca	Mentha	Lamiaceae
Rhodiola semenovii	Rhodiola	Crassulaceae
Stephania erecta	Stephania	Menispermaceae
Phoenix dactylifera	Phoenix	Arecaceae
Aglaia odorata	Aglaia	Meliaceae
Crotalaria candicans	Crotalaria	Fabaceae
Eria japonica	Eria	Orchidaceae
Salvia sessei	Salvia	Lamiaceae
Juniperus drupacea	Juniperus	Cupressaceae
Ceropegia dichotoma	Ceropegia	Apocynaceae
Ononis spinosa	Ononis	Fabaceae
Crinum moorei	Crinum	Amaryllidaceae
Eucalyptus globulus subsp. bicostata	Eucalyptus	Myrtaceae
Dendrobium loddigesii	Dendrobium	Orchidaceae
Gypsophila perfoliata	Gypsophila	Caryophyllaceae
Pterocaulon virgatum	Pterocaulon	Asteraceae
Vernonia cistifolia	Vernonia	Asteraceae
Sonneratia caseolaris	Sonneratia	Lythraceae

Ingredient ID: NPC153336
Formula: C14H20O3

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OCCC/C=C/[C@@H]([C@H](/C=C/C#C/C=C/C)O)O
Standard InCHI	InChI=1S/C14H20O3/c1-2-3-4-5-7-10-13(16)14(17)11-8-6-9-12-15/h2-3,7-8,10-11,13-17H,6,9,12H2,1H3/b3-2+,10-7+,11-8+/t13-,14-/m0/s1
Standard InCHIKey	BTNFVOSOJHJRTD-IFIIBHOOSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD73073]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Stephania erecta	Stephania	Menispermaceae

Ingredient ID: NPC12424
Formula: C36H36N2O5

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1N(C)CCc3c1c1Oc4cc5[C@@H](C2)N(C)CCc5cc4Oc1c(c3)OC
Standard InCHI	InChI=1S/C36H36N2O5/c1-37-13-11-23-18-31-32-20-26(23)27(37)16-22-7-10-29(39-3)30(17-22)41-25-8-5-21(6-9-25)15-28-34-24(12-14-38(28)2)19-33(40-4)35(42-31)36(34)43-32/h5-10,17-20,27-28H,11-16H2,1-4H3/t27-,28+/m1/s1
Standard InCHIKey	SVMNNRZZJAFEJM-IZLXSDGUSA-N
Ingredient External Links	PubChem CID: 10257561
Plant-Ingredient Association Reference	PMID: 8450319 Database: NPASS [NPC12424]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Glycyrrhiza inflata	Glycyrrhiza	Fabaceae
Stephania erecta	Stephania	Menispermaceae

Ingredient ID: NPC11296
Formula: C36H38N2O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1cc2CCN[C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc(c1O)OC
Standard InCHI	InChI=1S/C36H38N2O6/c1-38-14-12-24-19-33(42-4)35(39)36-34(24)28(38)16-21-5-8-25(9-6-21)43-31-17-22(7-10-29(31)40-2)15-27-26-20-32(44-36)30(41-3)18-23(26)11-13-37-27/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3/t27-,28+/m1/s1
Standard InCHIKey	REKCBEFSIKOPTD-IZLXSDGUSA-N
Ingredient External Links
Plant-Ingredient Association Reference	PMID: 8450319 Database: NPASS [NPC11296]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Stephania erecta	Stephania	Menispermaceae

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
NPC11296	C36H38N2O6		594.27	-0.6704	4.54	5.34	2	2	81.65	8	6	44	1
NPC12424	C36H36N2O5		576.2624223	0.2235	4.65	6.078	2	0	52.63	6	7	43	1
NPC153336	C14H20O3		236.1412445	0.9308	2.67	1.898	3	3	60.69	6	0	17	0
NPC239584	C35H34N2O5	Trilobine	562.25	-0.3124	4.54	5.839	2	1	61.42	5	7	42	1
NPC243454	C37H40N2O6		608.29	-0.2619	4.65	5.859	2	1	70.65	9	6	45	1
NPC249996	C35H32N2O5		560.23	-0.199	4.54	5.681	2	0	61.75	5	7	42	1
NPC271013	C37H40N2O6	Homoaromoline	608.29	-0.1345	4.65	5.579	2	1	72.86	9	6	45	1
NPC274661	C36H38N2O6		594.27	-0.6704	4.54	5.34	2	2	81.65	8	6	44	1
NPC281581	C36H36N2O6		592.26	-0.461	4.54	5.786	2	1	70.65	5	7	44	1
NPC290582	C37H40N2O6		608.29	-0.1345	4.65	5.579	2	1	72.86	9	6	45	1
NPC295432	C14H16O3		232.1099444	1.6325	2.67	2.261	3	2	57.53	5	0	17	0
NPC311973	C37H40N2O6		608.29	-0.1345	4.65	5.579	2	1	72.86	9	6	45	1
NPC475479	C37H40N2O6		608.29	-0.2619	4.65	5.859	2	1	70.65	9	6	45	1
NPC63646	C38H42N2O6	Obaberine	622.3	0.274	4.76	6.098	2	0	61.86	10	6	46	1
NPC66535	C37H40N2O6		608.288637	-0.1345	4.65	5.579	2	1	72.86	3	6	45	1
NPC67578	C14H18O3		234.1255944	1.0534	2.67	1.956	3	3	60.69	5	0	17	0
NPC73492	C37H38N2O6	Cepharanthine	606.27	0.0749	4.65	6.025	2	0	61.86	6	7	45	1
NPC76682	C38H42N2O6		622.3	0.274	4.76	6.098	2	0	61.86	10	6	46	1
NPC82457	C36H38N2O6		594.27	-0.6704	4.54	5.34	2	2	81.65	8	6	44	1

Download Data

All data can be downloaded by:

→ Selecting data type in the below download table
→ Then click the download button.

Data Section	Select to Download
1. General Information & structure data (InChi, InChiKey, SMILES)
2. Physico-chemical Properties