CMAUP Plant Ingredients

25 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.

11 Ingredients with Available Activity

Unique ingredients have activity data available.

Ingredient Structrual Cards

Ingredient ID: NPC96566
Formula: C21H20O5

Common Name	n.a.
IUPAC Name	7-hydroxy-3-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one
Canonical SMILES	COc1cc(O)c(cc1CC=C(C)C)c1coc2c(c1=O)ccc(c2)O
Standard InCHI	InChI=1S/C21H20O5/c1-12(2)4-5-13-8-16(18(23)10-19(13)25-3)17-11-26-20-9-14(22)6-7-15(20)21(17)24/h4,6-11,22-23H,5H2,1-3H3
Standard InCHIKey	WDUKPMSWWVPFRK-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 24795708
Plant-Ingredient Association Reference	Database: UNPD [UNPD120655]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Calotropis procera	Calotropis	Apocynaceae

Ingredient ID: NPC87229
Formula: C21H22O5

Common Name	n.a.
IUPAC Name	(2S)-5,7-dihydroxy-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
Canonical SMILES	COc1ccc(cc1CC=C(C)C)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O
Standard InCHI	InChI=1S/C21H22O5/c1-12(2)4-5-13-8-14(6-7-18(13)25-3)19-11-17(24)21-16(23)9-15(22)10-20(21)26-19/h4,6-10,19,22-23H,5,11H2,1-3H3/t19-/m0/s1
Standard InCHIKey	OSVQFBUNCMAMER-IBGZPJMESA-N
Ingredient External Links	PubChem CID: 24795707 ZINC ID: ZINC000138190632
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Calotropis procera	Calotropis	Apocynaceae

Ingredient ID: NPC84124
Formula: C20H16O6

Common Name	n.a.
IUPAC Name	7-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
Canonical SMILES	Oc1ccc(c(c1)O)c1coc2c(c1=O)c(O)c1c(c2)OC(C=C1)(C)C
Standard InCHI	InChI=1S/C20H16O6/c1-20(2)6-5-12-15(26-20)8-16-17(18(12)23)19(24)13(9-25-16)11-4-3-10(21)7-14(11)22/h3-9,21-23H,1-2H3
Standard InCHIKey	YKYNYMQDXOWMDT-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 14550385 ZINC ID: ZINC000014637754
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Glycyrrhiza inflata	Glycyrrhiza	Fabaceae
Calotropis procera	Calotropis	Apocynaceae
Glycyrrhiza glabra	Glycyrrhiza	Fabaceae
Glycyrrhiza uralensis	Glycyrrhiza	Fabaceae

Ingredient ID: NPC68104
Formula: C26H30O4

Common Name	Abyssinone-Iv-4'-O-Methyl Ether
IUPAC Name	(2S)-7-hydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
Canonical SMILES	COc1c(CC=C(C)C)cc(cc1CC=C(C)C)[C@@H]1CC(=O)c2c(O1)cc(cc2)O
Standard InCHI	InChI=1S/C26H30O4/c1-16(2)6-8-18-12-20(13-19(26(18)29-5)9-7-17(3)4)24-15-23(28)22-11-10-21(27)14-25(22)30-24/h6-7,10-14,24,27H,8-9,15H2,1-5H3/t24-/m0/s1
Standard InCHIKey	UOOVGAFDYLDFRW-DEOSSOPVSA-N
Ingredient External Links	PubChem CID: 11995580 ChEMBL ID: CHEMBL470452
Plant-Ingredient Association Reference	Database: UNPD [UNPD17658] Database: NPASS [NPC68104]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Calotropis procera	Calotropis	Apocynaceae

Ingredient ID: NPC473208
Formula: C32H43NO9S

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O=C[C@]12C[C@H]3O[C@@]4(O)[C@@]5(SCC(=N5)O)C[C@H](O[C@H]4O[C@@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(CO)CC[C@@H]2C1=CC(=O)OC1)C)C
Standard InCHI	InChI=1S/C32H43NO9S/c1-17-11-31(33-25(36)14-43-31)32(38)27(40-17)41-23-10-19-3-4-22-21(29(19,15-34)12-24(23)42-32)5-7-28(2)20(6-8-30(22,28)16-35)18-9-26(37)39-13-18/h9,15,17,19-24,27,35,38H,3-8,10-14,16H2,1-2H3,(H,33,36)/t17-,19+,20-,21+,22-,23-,24-,27+,28-,29-,30+,31+,32-/m1/s1
Standard InCHIKey	JENFELCBBWGKDL-DMHYMSEJSA-N
Ingredient External Links	PubChem CID: 44387904 ChEMBL ID: CHEMBL368047
Plant-Ingredient Association Reference	PMID: 15689169 Database: NPASS [NPC473208]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Calotropis procera	Calotropis	Apocynaceae

Ingredient ID: NPC473040
Formula: C31H43NO8S

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O=C[C@]12C[C@H]3O[C@]4(O)[C@H](O[C@@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)O[C@@H](C[C@]14NCCS1)C
Standard InCHI	InChI=1S/C31H43NO8S/c1-17-13-30(32-9-10-41-30)31(36)26(38-17)39-23-12-19-3-4-22-21(28(19,16-33)14-24(23)40-31)5-7-27(2)20(6-8-29(22,27)35)18-11-25(34)37-15-18/h11,16-17,19-24,26,32,35-36H,3-10,12-15H2,1-2H3/t17-,19+,20-,21+,22-,23-,24-,26+,27-,28-,29+,30+,31-/m1/s1
Standard InCHIKey	YLDBWOUPHZGCJG-IGACXKNBSA-N
Ingredient External Links	PubChem CID: 44387915 ChEMBL ID: CHEMBL360322
Plant-Ingredient Association Reference	PMID: 15689169 Database: NPASS [NPC473040]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Calotropis procera	Calotropis	Apocynaceae

Ingredient ID: NPC470094
Formula: C31H42N2O8S

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O=C[C@]12C[C@H]3O[C@]4(O)[C@H](O[C@@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)O[C@@H](C[C@@]14SCC(=N)N1)C
Standard InCHI	InChI=1S/C31H42N2O8S/c1-16-11-30(33-24(32)14-42-30)31(37)26(39-16)40-22-10-18-3-4-21-20(28(18,15-34)12-23(22)41-31)5-7-27(2)19(6-8-29(21,27)36)17-9-25(35)38-13-17/h9,15-16,18-23,26,36-37H,3-8,10-14H2,1-2H3,(H2,32,33)/t16-,18+,19-,20+,21-,22-,23-,26+,27-,28-,29+,30+,31-/m1/s1
Standard InCHIKey	JHKLDCGHXADNGS-DJHKYUSNSA-N
Ingredient External Links	PubChem CID: 44387914 ChEMBL ID: CHEMBL175806
Plant-Ingredient Association Reference	PMID: 15689169 Database: NPASS [NPC470094]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Calotropis procera	Calotropis	Apocynaceae

Ingredient ID: NPC43024
Formula: C20H20O5

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O=C(c1ccc2c(c1O)CCC(O2)(C)C)C=Cc1ccc(c(c1)O)O
Standard InCHI	InChI=1S/C20H20O5/c1-20(2)10-9-14-18(25-20)8-5-13(19(14)24)15(21)6-3-12-4-7-16(22)17(23)11-12/h3-8,11,22-24H,9-10H2,1-2H3
Standard InCHIKey	RHPWNQNFQVSRFS-UHFFFAOYSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD212133]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Calotropis procera	Calotropis	Apocynaceae

Ingredient ID: NPC279043
Formula: C20H20O5

Common Name	n.a.
IUPAC Name	(2S)-2-(3,4-dihydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
Canonical SMILES	O=C1C[C@H](Oc2c1ccc1c2CCC(O1)(C)C)c1ccc(c(c1)O)O
Standard InCHI	InChI=1S/C20H20O5/c1-20(2)8-7-13-17(25-20)6-4-12-15(22)10-18(24-19(12)13)11-3-5-14(21)16(23)9-11/h3-6,9,18,21,23H,7-8,10H2,1-2H3/t18-/m0/s1
Standard InCHIKey	QCBCPALLWXTPLW-SFHVURJKSA-N
Ingredient External Links	PubChem CID: 57338626
Plant-Ingredient Association Reference	Database: UNPD [UNPD206613]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Calotropis procera	Calotropis	Apocynaceae

Ingredient ID: NPC259939
Formula: C22H20O4

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(=CCc1c(O)ccc2c1O[C@@H]1[C@H]2COc2c1cc1ccoc1c2)C
Standard InCHI	InChI=1S/C22H20O4/c1-12(2)3-4-15-18(23)6-5-14-17-11-25-20-10-19-13(7-8-24-19)9-16(20)22(17)26-21(14)15/h3,5-10,17,22-23H,4,11H2,1-2H3/t17-,22-/m0/s1
Standard InCHIKey	VAVHXRDWDOYXSV-JTSKRJEESA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD84986]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Calotropis procera	Calotropis	Apocynaceae

Ingredient ID: NPC259166
Formula: C20H18O5

Common Name	Wighteone
IUPAC Name	5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
Canonical SMILES	CC(=CCc1c(O)cc2c(c1O)c(=O)c(co2)c1ccc(cc1)O)C
Standard InCHI	InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3
Standard InCHIKey	KIMDVVKVNNSHGZ-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 5281814 ZINC ID: ZINC000005195795 ChEMBL ID: CHEMBL393222
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC259166]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Piper dilatatum	Piper	Piperaceae
Centella asiatica	Centella	Apiaceae
Glycyrrhiza inflata	Glycyrrhiza	Fabaceae
Sophora flavescens	Sophora	Fabaceae
Erycibe expansa	Erycibe	Convolvulaceae
Calotropis procera	Calotropis	Apocynaceae
Glycyrrhiza glabra	Glycyrrhiza	Fabaceae
Erythrina variegate	Erythrina	Fabaceae
Cudrania tricuspidata	Maclura	Moraceae
Amaranthus spinosus	Amaranthus	Amaranthaceae
Glycyrrhiza uralensis	Glycyrrhiza	Fabaceae

Ingredient ID: NPC258630
Formula: C25H28O5

Common Name	Abyssinone V
IUPAC Name	(2S)-5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
Canonical SMILES	CC(=CCc1cc(cc(c1O)CC=C(C)C)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O)C
Standard InCHI	InChI=1S/C25H28O5/c1-14(2)5-7-16-9-18(10-17(25(16)29)8-6-15(3)4)22-13-21(28)24-20(27)11-19(26)12-23(24)30-22/h5-6,9-12,22,26-27,29H,7-8,13H2,1-4H3/t22-/m0/s1
Standard InCHIKey	LQHKFMYWTKORCE-QFIPXVFZSA-N
Ingredient External Links	PubChem CID: 442153 ZINC ID: ZINC000004098005 ChEMBL ID: CHEMBL255890
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC258630]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Calotropis procera	Calotropis	Apocynaceae
Erythrina abyssinica	Erythrina	Fabaceae

Ingredient ID: NPC253501
Formula: C25H28O4

Common Name	n.a.
IUPAC Name	6-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-7-ol
Canonical SMILES	CC(=CCc1c(O)c(cc2c1OC(C)(C)C=C2)[C@@H]1COc2c(C1)ccc(c2)O)C
Standard InCHI	InChI=1S/C25H28O4/c1-15(2)5-8-20-23(27)21(12-17-9-10-25(3,4)29-24(17)20)18-11-16-6-7-19(26)13-22(16)28-14-18/h5-7,9-10,12-13,18,26-27H,8,11,14H2,1-4H3/t18-/m0/s1
Standard InCHIKey	XVJIRAKXLPECHH-SFHVURJKSA-N
Ingredient External Links	PubChem CID: 24757892
Plant-Ingredient Association Reference	Database: UNPD [UNPD162779]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Calotropis procera	Calotropis	Apocynaceae

Ingredient ID: NPC213608
Formula: C25H26O4

Common Name	Erycrystagallin
IUPAC Name	2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Canonical SMILES	CC(=CCc1cc2c(cc1O)OCc1c2oc2c1ccc(c2CC=C(C)C)O)C
Standard InCHI	InChI=1S/C25H26O4/c1-14(2)5-7-16-11-19-23(12-22(16)27)28-13-20-17-9-10-21(26)18(8-6-15(3)4)24(17)29-25(19)20/h5-6,9-12,26-27H,7-8,13H2,1-4H3
Standard InCHIKey	VNTSSLCFFUCTNP-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 10362969 ZINC ID: ZINC000013485439 ChEMBL ID: CHEMBL462699
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC213608]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Calotropis procera	Calotropis	Apocynaceae
Erythrina abyssinica	Erythrina	Fabaceae

Ingredient ID: NPC210749
Formula: C29H38O9

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O=CC12CC3OC4(O)C(=O)CC(OC4OC3CC1CCC1C2CCC2(C1(O)CCC2C1=CC(=O)OC1)C)C
Standard InCHI	InChI=1S/C29H38O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-22,25,33-34H,3-9,11-13H2,1-2H3
Standard InCHIKey	YOCULAYFPPWLRI-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 4482834
Plant-Ingredient Association Reference	Database: TCMID [22264]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Calotropis procera	Calotropis	Apocynaceae
Crotalaria pallida	Crotalaria	Fabaceae

Ingredient ID: NPC209040
Formula: C26H30O5

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1c(CC=C(C)C)cc(cc1/C=C/C(O)(C)C)[C@@H]1CC(=O)c2c(O1)cc(cc2)O
Standard InCHI	InChI=1S/C26H30O5/c1-16(2)6-7-17-12-19(13-18(25(17)30-5)10-11-26(3,4)29)23-15-22(28)21-9-8-20(27)14-24(21)31-23/h6,8-14,23,27,29H,7,15H2,1-5H3/b11-10+/t23-/m0/s1
Standard InCHIKey	SRFNFECUBWLUHV-YSESTWPTSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD152510] Database: NPASS [NPC209040]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Calotropis procera	Calotropis	Apocynaceae

Ingredient ID: NPC207078
Formula: C38H66O4

Common Name	n.a.
IUPAC Name	octacosyl (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
Canonical SMILES	CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(c(c1)O)OC
Standard InCHI	InChI=1S/C38H66O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-42-38(40)32-30-35-29-31-37(41-2)36(39)34-35/h29-32,34,39H,3-28,33H2,1-2H3/b32-30+
Standard InCHIKey	XEOWPOLWKNHXGL-NHQGMKOOSA-N
Ingredient External Links	PubChem CID: 101426086
Plant-Ingredient Association Reference	Database: UNPD [UNPD134736]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Calotropis procera	Calotropis	Apocynaceae
Anthotroche myoporoides	Anthotroche	Solanaceae
Helenium virginicum	Helenium	Asteraceae
Hypericum caprifoliatum	Hypericum	Hypericaceae
Astragalus flexus	Astragalus	Fabaceae
Nannoglottis ravida	Nannoglottis	Asteraceae
Heliotropium digynum	Heliotropium	Heliotropiaceae
Erythrina vogelii	Erythrina	Fabaceae

Ingredient ID: NPC200761
Formula: C21H22O6

Common Name	Abyssinin Ii
IUPAC Name	(2S)-5,7-dihydroxy-2-[4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
Canonical SMILES	COc1cc(cc(c1O)CC=C(C)C)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O
Standard InCHI	InChI=1S/C21H22O6/c1-11(2)4-5-12-6-13(7-19(26-3)21(12)25)17-10-16(24)20-15(23)8-14(22)9-18(20)27-17/h4,6-9,17,22-23,25H,5,10H2,1-3H3/t17-/m0/s1
Standard InCHIKey	UQFQODVSORPELA-KRWDZBQOSA-N
Ingredient External Links	PubChem CID: 442457 ZINC ID: ZINC000004098362 ChEMBL ID: CHEMBL388722
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC200761]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Glycyrrhiza lepidota	Glycyrrhiza	Fabaceae
Calotropis procera	Calotropis	Apocynaceae
Erythrina abyssinica	Erythrina	Fabaceae

Ingredient ID: NPC17170
Formula: C26H30O5

Common Name	4-Methylabyssinone V
IUPAC Name	(2S)-5,7-dihydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
Canonical SMILES	COc1c(CC=C(C)C)cc(cc1CC=C(C)C)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O
Standard InCHI	InChI=1S/C26H30O5/c1-15(2)6-8-17-10-19(11-18(26(17)30-5)9-7-16(3)4)23-14-22(29)25-21(28)12-20(27)13-24(25)31-23/h6-7,10-13,23,27-28H,8-9,14H2,1-5H3/t23-/m0/s1
Standard InCHIKey	JHEBMTRMMJXPTM-QHCPKHFHSA-N
Ingredient External Links	PubChem CID: 6548074 ZINC ID: ZINC000004716496 ChEMBL ID: CHEMBL470249
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC17170]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Erythrina burttii	Erythrina	Fabaceae
Calotropis procera	Calotropis	Apocynaceae
Erythrina abyssinica	Erythrina	Fabaceae

Ingredient ID: NPC162680
Formula: C17H14O5

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1cc(OC)cc2c1c(=O)c(co2)c1ccc(cc1)O
Standard InCHI	InChI=1S/C17H14O5/c1-20-12-7-14(21-2)16-15(8-12)22-9-13(17(16)19)10-3-5-11(18)6-4-10/h3-9,18H,1-2H3
Standard InCHIKey	YZBVKMUAJDLNMZ-UHFFFAOYSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD127233] Database: NPASS [NPC162680]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Calotropis procera	Calotropis	Apocynaceae

Ingredient ID: NPC145542
Formula: C20H16O4

Common Name	n.a.
IUPAC Name	7-(4-hydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
Canonical SMILES	Oc1ccc(cc1)c1coc2c(c1=O)cc1c(c2)OC(C=C1)(C)C
Standard InCHI	InChI=1S/C20H16O4/c1-20(2)8-7-13-9-15-18(10-17(13)24-20)23-11-16(19(15)22)12-3-5-14(21)6-4-12/h3-11,21H,1-2H3
Standard InCHIKey	GGGQCONNJCHXIR-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 10381321 ZINC ID: ZINC000015204107
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Calotropis procera	Calotropis	Apocynaceae

Ingredient ID: NPC143896
Formula: C25H28O4

Common Name	Abyssinone Iv
IUPAC Name	(2S)-7-hydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
Canonical SMILES	CC(=CCc1cc(cc(c1O)CC=C(C)C)[C@@H]1CC(=O)c2c(O1)cc(cc2)O)C
Standard InCHI	InChI=1S/C25H28O4/c1-15(2)5-7-17-11-19(12-18(25(17)28)8-6-16(3)4)23-14-22(27)21-10-9-20(26)13-24(21)29-23/h5-6,9-13,23,26,28H,7-8,14H2,1-4H3/t23-/m0/s1
Standard InCHIKey	JBQLRZGPTDOWQA-QHCPKHFHSA-N
Ingredient External Links	PubChem CID: 7330513 ChEMBL ID: CHEMBL470454
Plant-Ingredient Association Reference	Database: UNPD [UNPD145679] Database: NPASS [NPC143896]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Calotropis procera	Calotropis	Apocynaceae

Ingredient ID: NPC131039
Formula: C26H30O4

Common Name	Abyssinone-Vi-4-O-Methyl Ether
IUPAC Name	(E)-1-(2,4-dihydroxyphenyl)-3-[4-methoxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
Canonical SMILES	COc1c(CC=C(C)C)cc(cc1CC=C(C)C)/C=C/C(=O)c1ccc(cc1O)O
Standard InCHI	InChI=1S/C26H30O4/c1-17(2)6-9-20-14-19(15-21(26(20)30-5)10-7-18(3)4)8-13-24(28)23-12-11-22(27)16-25(23)29/h6-8,11-16,27,29H,9-10H2,1-5H3/b13-8+
Standard InCHIKey	AHQPCANDOCWXDN-MDWZMJQESA-N
Ingredient External Links	PubChem CID: 11995582 ChEMBL ID: CHEMBL470865
Plant-Ingredient Association Reference	Database: UNPD [UNPD167302] Database: NPASS [NPC131039]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Calotropis procera	Calotropis	Apocynaceae

Ingredient ID: NPC114086
Formula: C35H34O7

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CCOC(=O)c1ccccc1C(=O)Oc1ccc2c(c1CC=C(C)C)OC[C@@H]1[C@H]2Oc2c1cc1c(c2)OC(C=C1)(C)C
Standard InCHI	InChI=1S/C35H34O7/c1-6-38-33(36)22-9-7-8-10-23(22)34(37)41-28-14-13-25-31(24(28)12-11-20(2)3)39-19-27-26-17-21-15-16-35(4,5)42-29(21)18-30(26)40-32(25)27/h7-11,13-18,27,32H,6,12,19H2,1-5H3/t27-,32-/m0/s1
Standard InCHIKey	NWSQEVWLFQJDFK-UCGGBYDDSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD84546]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Calotropis procera	Calotropis	Apocynaceae

Ingredient ID: NPC110303
Formula: C25H26O4

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(=CCc1cc(cc2c1OC(C)(C)C=C2)[C@@H]1CC(=O)c2c(O1)cc(cc2)O)C
Standard InCHI	InChI=1S/C25H26O4/c1-15(2)5-6-16-11-18(12-17-9-10-25(3,4)29-24(16)17)22-14-21(27)20-8-7-19(26)13-23(20)28-22/h5,7-13,22,26H,6,14H2,1-4H3/t22-/m0/s1
Standard InCHIKey	BWSXMPVDLMJKKY-QFIPXVFZSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD62284] Database: NPASS [NPC110303]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Calotropis procera	Calotropis	Apocynaceae

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
NPC110303	C25H26O4		390.18	1.8914	3.77	4.73	1	1	55.76	8	4	29	0
NPC114086	C35H34O7		566.2304534	2.3026	4.54	7.921	7	0	80.29	8	6	42	1
NPC131039	C26H30O4	Abyssinone-Vi-4-O-Methyl Ether	406.21	2.8797	3.88	6.223	1	2	66.76	15	2	30	1
NPC143896	C25H28O4	Abyssinone Iv	392.2	2.4007	3.77	4.8	1	2	66.76	11	3	29	0
NPC145542	C20H16O4		320.104859	-0.2192	3.22	3.875	4	1	55.76	1	4	24	0
NPC162680	C17H14O5		298.08	-1.2306	2.78	2.55	1	1	64.99	6	3	22	0
NPC17170	C26H30O5	4-Methylabyssinone V	422.21	2.3489	3.77	4.356	1	2	75.99	13	3	31	0
NPC200761	C21H22O6	Abyssinin Ii	370.14	0.0112	3.11	1.923	1	3	96.22	10	3	27	0
NPC207078	C38H66O4	octacosyl (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate	586.4961106	-7.6672	5.2	16.558	2	1	55.76	31	1	42	2
NPC209040	C26H30O5		422.21	1.5334	3.77	4.231	2	2	75.99	13	3	31	0
NPC210749	C29H38O9		530.2515828	-1.1675	3.66	1.394	9	2	128.59	2	7	38	0
NPC213608	C25H26O4	Erycrystagallin	390.18	2.5376	3.77	4.833	0	2	62.83	10	4	29	0
NPC253501	C25H28O4		392.1987594	1.7372	3.77	4.677	4	2	58.92	3	4	29	0
NPC258630	C25H28O5	Abyssinone V	408.19	1.9404	3.66	3.837	1	3	86.99	12	3	30	0
NPC259166	C20H18O5	Wighteone	338.12	-0.1702	3.11	2.982	1	3	86.99	8	3	25	0
NPC259939	C22H20O4		348.1361591	0.6099	3.44	3.867	4	1	51.83	2	5	26	0
NPC279043	C20H20O5		340.1310737	-0.5961	3.11	2.917	5	2	75.99	1	4	25	0
NPC43024	C20H20O5		340.1310737	-0.5256	3.11	3.61	5	3	86.99	3	3	25	0
NPC470094	C31H42N2O8S		602.27	-1.2943	3.66	2.59	10	4	172.7	6	8	42	0
NPC473040	C31H43NO8S		589.27	-1.0131	3.77	2.564	9	3	148.85	6	8	41	0
NPC473208	C32H43NO9S		617.27	-0.894	3.77	2.687	10	3	169.41	8	8	43	0
NPC68104	C26H30O4	Abyssinone-Iv-4'-O-Methyl Ether	406.21	2.8092	3.88	5.319	1	1	55.76	12	3	30	1
NPC84124	C20H16O6	7-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one	352.0946882	-1.1398	3	1.949	1	3	96.22	1	4	26	0
NPC87229	C21H22O5		354.1467238	0.4715	3.22	2.886	5	2	75.99	4	3	26	0
NPC96566	C21H20O5		352.1310737	0.2383	3.22	3.501	5	2	75.99	4	3	26	0

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