CMAUP Plant Ingredients

27 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.

14 Ingredients with Available Activity

Unique ingredients have activity data available.

Ingredient Structrual Cards

Ingredient ID: NPC85670
Formula: C21H28O8

Common Name	Chlorajaposide
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H](O[C@]23OC(=O)C(=C3C[C@@H]3[C@](C2)(C)[C@@H]2C[C@@H]2C3=C)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C21H28O8/c1-8-10-4-13(10)20(3)7-21(12(5-11(8)20)9(2)18(26)28-21)29-19-17(25)16(24)15(23)14(6-22)27-19/h10-11,13-17,19,22-25H,1,4-7H2,2-3H3/t10-,11+,13-,14-,15-,16+,17-,19+,20-,21-/m1/s1
Standard InCHIKey	DIHJSNVGGKCCRW-IFIACUTQSA-N
Ingredient External Links	PubChem CID: 53316475 ChEMBL ID: CHEMBL1669183
Plant-Ingredient Association Reference	PMID: 21142110 Database: NPASS [NPC85670]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Chloranthus japonicus	Chloranthus	Chloranthaceae

Ingredient ID: NPC78594
Formula: C15H22O5

Common Name	Chloraeudolide
IUPAC Name	(4aR,5R,8R,8aR,9aS)-5,8,9a-trihydroxy-3,5,8a-trimethyl-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
Canonical SMILES	O=C1O[C@@]2(C(=C1C)C[C@@H]1[C@](C2)(C)[C@H](O)CC[C@@]1(C)O)O
Standard InCHI	InChI=1S/C15H22O5/c1-8-9-6-10-13(2,7-15(9,19)20-12(8)17)11(16)4-5-14(10,3)18/h10-11,16,18-19H,4-7H2,1-3H3/t10-,11-,13-,14-,15+/m1/s1
Standard InCHIKey	BWOFLNFAFOQHRS-BBIZWXPBSA-N
Ingredient External Links	PubChem CID: 50993975 ZINC ID: ZINC000066078177 ChEMBL ID: CHEMBL1669185
Plant-Ingredient Association Reference	PMID: 21142110 Database: NPASS [NPC78594]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Curcuma wenyujin	Curcuma	Zingiberaceae
Miliusa balansae	Miliusa	Annonaceae
Chloranthus japonicus	Chloranthus	Chloranthaceae

Ingredient ID: NPC78080
Formula: C15H20O

Common Name	n.a.
IUPAC Name	(5Z,9Z)-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan
Canonical SMILES	C/C/1=C/Cc2c(C/C(=CCC1)/C)occ2C
Standard InCHI	InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6-
Standard InCHIKey	VMDXHYHOJPKFEK-ADUATRDFSA-N
Ingredient External Links	PubChem CID: 5317424
Plant-Ingredient Association Reference	Database: TCMID [8013]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Codonopsis pilosula	Codonopsis	Campanulaceae
Chloranthus japonicus	Chloranthus	Chloranthaceae
Curcuma zedoaria	Curcuma	Zingiberaceae

Ingredient ID: NPC58948
Formula: C15H24O

Common Name	n.a.
IUPAC Name	(1-methyl-4-prop-1-en-2-ylspiro[4.5]dec-8-en-8-yl)methanol
Canonical SMILES	OCC1=CCC2(CC1)C(C)CCC2C(=C)C
Standard InCHI	InChI=1S/C15H24O/c1-11(2)14-5-4-12(3)15(14)8-6-13(10-16)7-9-15/h6,12,14,16H,1,4-5,7-10H2,2-3H3
Standard InCHIKey	KBMDEJULGPFFGC-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 91714964
Plant-Ingredient Association Reference	Database: TCMID [19824]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Chloranthus japonicus	Chloranthus	Chloranthaceae

Ingredient ID: NPC53966
Formula: C15H22O

Common Name	n.a.
IUPAC Name	(4aS,8aR)-8a-methyl-5-methylidene-3-propan-2-ylidene-1,4,4a,6,7,8-hexahydronaphthalen-2-one
Canonical SMILES	C=C1CCC[C@]2([C@H]1CC(=C(C)C)C(=O)C2)C
Standard InCHI	InChI=1S/C15H22O/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)9-14(12)16/h13H,3,5-9H2,1-2,4H3/t13-,15+/m0/s1
Standard InCHIKey	NKGSEACIYQINQJ-DZGCQCFKSA-N
Ingredient External Links	PubChem CID: 13986100 ZINC ID: ZINC000015207483
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Garcinia macrophylla	Garcinia	Clusiaceae
Atractylodes chinensis	Atractylodes	Asteraceae
Atractylodes lancea	Atractylodes	Asteraceae
Atractylodes macrocephala	Atractylodes	Asteraceae
Chloranthus japonicus	Chloranthus	Chloranthaceae

Ingredient ID: NPC469674
Formula: C35H40O10

Common Name	Shizukaol C
IUPAC Name	n.a.
Canonical SMILES	COC(=O)/C(=C1/C(=O)[C@H](O)[C@@]2(C3=C1[C@]14OC(=O)C(=C1C[C@@H]1[C@]([C@@H]4C[C@]3(O)[C@@H]3[C@H]2C3)(C)[C@@H]2C[C@@H]2[C@H]1O)COC(=O)/C(=C/C)/C)C)/C
Standard InCHI	InChI=1S/C35H40O10/c1-7-13(2)29(39)44-12-16-18-9-21-25(36)15-8-17(15)32(21,4)22-11-34(42)20-10-19(20)33(5)27(34)24(35(18,22)45-31(16)41)23(26(37)28(33)38)14(3)30(40)43-6/h7,15,17,19-22,25,28,36,38,42H,8-12H2,1-6H3/b13-7+,23-14+/t15-,17+,19+,20-,21-,22-,25+,28-,32-,33-,34-,35-/m0/s1
Standard InCHIKey	RQSUWQLZEDOFRR-NAJUWFPCSA-N
Ingredient External Links	ChEMBL ID: CHEMBL1097994
Plant-Ingredient Association Reference	PMID: 21650224 Database: NPASS [NPC469674]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Chloranthus japonicus	Chloranthus	Chloranthaceae

Ingredient ID: NPC34963
Formula: C40H44O13

Common Name	Shizukaol B
IUPAC Name	n.a.
Canonical SMILES	COC(=O)/C(=C/1C(=O)[C@H](O)[C@@]2(C3=C(C[C@@H]4[C@@]5([C@@H]13)OC(=O)C1=C5C[C@@H]3[C@]4(C)[C@@H]4C[C@@H]4[C@@]3(O)COC(=O)/C(=C/COC(=O)CCC(=O)OC1)/C)[C@@H]1[C@H]2C1)C)/C
Standard InCHI	InChI=1S/C40H44O13/c1-16-8-9-50-27(41)6-7-28(42)51-14-20-22-13-25-37(3,23-12-24(23)39(25,48)15-52-34(16)45)26-11-19-18-10-21(18)38(4)30(19)31(40(22,26)53-36(20)47)29(32(43)33(38)44)17(2)35(46)49-5/h8,18,21,23-26,31,33,44,48H,6-7,9-15H2,1-5H3/b16-8+,29-17-/t18-,21-,23-,24+,25-,26+,31+,33+,37+,38+,39+,40+/m1/s1
Standard InCHIKey	NCEFZVURTXZBJM-CLPLISGISA-N
Ingredient External Links	PubChem CID: 56661508 ChEMBL ID: CHEMBL1813267
Plant-Ingredient Association Reference	PMID: 21650224 Database: NPASS [NPC34963]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Lepidium apetalum	Lepidium	Brassicaceae
Actinidia deliciosa	Actinidia	Actinidiaceae
Chloranthus japonicus	Chloranthus	Chloranthaceae

Ingredient ID: NPC329435
Formula: C15H20O4

Common Name	Chlorajapolide D
IUPAC Name	n.a.
Canonical SMILES	OC[C@@]1(O)[C@H]2C[C@H]2[C@]2([C@H]1CC1=C(C)C(=O)O[C@H]1C2)C
Standard InCHI	InChI=1S/C15H20O4/c1-7-8-3-12-14(2,5-11(8)19-13(7)17)9-4-10(9)15(12,18)6-16/h9-12,16,18H,3-6H2,1-2H3/t9-,10+,11+,12-,14+,15-/m1/s1
Standard InCHIKey	QKAOLXBSWUJRPA-NBVFDPJVSA-N
Ingredient External Links	PubChem CID: 50993900 ChEMBL ID: CHEMBL1669181
Plant-Ingredient Association Reference	PMID: 21142110 Database: NPASS [NPC329435]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Chloranthus japonicus	Chloranthus	Chloranthaceae

Ingredient ID: NPC327664
Formula: C39H42O14

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O=C1CCC(=O)OC/C=C(C)/C(=O)OC[C@]2([C@@H]3CC4=C(CO1)C(=O)O[C@]14C4=C5[C@@](C[C@H]1[C@@]3(C)[C@H]1[C@@H]2C1)(O)[C@@H]1[C@H]([C@@]5([C@H]([C@@]2(C4=C(C)C(=O)O2)O)O)C)C1)O
Standard InCHI	InChI=1S/C39H42O14/c1-15-7-8-49-25(40)5-6-26(41)50-13-17-18-11-23-34(3,19-9-22(19)37(23,47)14-51-30(15)42)24-12-36(46)21-10-20(21)35(4)29(36)28(38(18,24)52-32(17)44)27-16(2)31(43)53-39(27,48)33(35)45/h7,19-24,33,45-48H,5-6,8-14H2,1-4H3/b15-7+/t19-,20-,21+,22+,23-,24+,33-,34+,35+,36+,37+,38+,39+/m1/s1
Standard InCHIKey	VAOZXVGMCZGLOH-BQPKVCGRSA-N
Ingredient External Links	ZINC ID: ZINC000049793450
Plant-Ingredient Association Reference	PMID: 21650224 Database: NPASS [NPC327664]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Chloranthus japonicus	Chloranthus	Chloranthaceae

Ingredient ID: NPC321556
Formula: C32H36O8

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COC(=O)[C@]1(C)CC2=C3C=C(C(=O)[C@@H]([C@]3([C@H]3[C@@H]2C3)C)O)[C@](CC2=C3C=C1C(=O)[C@@H]([C@@]3(C)[C@H]1[C@@H]2C1)O)(C)C(=O)OC
Standard InCHI	InChI=1S/C32H36O8/c1-29(27(37)39-5)11-15-13-7-17(13)32(4)20(15)10-22(24(34)26(32)36)30(2,28(38)40-6)12-16-14-8-18(14)31(3)19(16)9-21(29)23(33)25(31)35/h9-10,13-14,17-18,25-26,35-36H,7-8,11-12H2,1-6H3/t13-,14-,17-,18-,25+,26+,29-,30-,31+,32+/m1/s1
Standard InCHIKey	YSPXFYFVBVEVBW-WCQVQBNASA-N
Ingredient External Links	ZINC ID: ZINC000049802824
Plant-Ingredient Association Reference	PMID: 21650224 Database: NPASS [NPC321556]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Chloranthus japonicus	Chloranthus	Chloranthaceae

Ingredient ID: NPC321385
Formula: C15H18O3

Common Name	Chlorajapolide C
IUPAC Name	n.a.
Canonical SMILES	OCC1=C2CC3=C(C)C(=O)O[C@H]3C[C@]2([C@H]2[C@@H]1C2)C
Standard InCHI	InChI=1S/C15H18O3/c1-7-8-3-12-10(6-16)9-4-11(9)15(12,2)5-13(8)18-14(7)17/h9,11,13,16H,3-6H2,1-2H3/t9-,11-,13+,15+/m1/s1
Standard InCHIKey	MTQDWDRXGBDENC-RNKJKDHYSA-N
Ingredient External Links	PubChem CID: 50993899 ChEMBL ID: CHEMBL1669180
Plant-Ingredient Association Reference	PMID: 21142110 Database: NPASS [NPC321385]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Chloranthus japonicus	Chloranthus	Chloranthaceae

Ingredient ID: NPC320231
Formula: C15H16O4

Common Name	Chlorajapolide A
IUPAC Name	n.a.
Canonical SMILES	O=CC1=C2[C@@H](O)C3=C(C)C(=O)O[C@H]3C[C@]2([C@H]2[C@@H]1C2)C
Standard InCHI	InChI=1S/C15H16O4/c1-6-11-10(19-14(6)18)4-15(2)9-3-7(9)8(5-16)12(15)13(11)17/h5,7,9-10,13,17H,3-4H2,1-2H3/t7-,9-,10+,13+,15+/m1/s1
Standard InCHIKey	UGOMZSBOIHRNKE-BVWZFGMISA-N
Ingredient External Links	PubChem CID: 50993826 ChEMBL ID: CHEMBL1668789
Plant-Ingredient Association Reference	PMID: 21142110 Database: NPASS [NPC320231]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Chloranthus japonicus	Chloranthus	Chloranthaceae

Ingredient ID: NPC319861
Formula: C15H16O4

Common Name	Chlorajapolide B
IUPAC Name	n.a.
Canonical SMILES	O[C@H]1O[C@@H]2C3=C1[C@H]1C[C@H]1[C@]3(C)C[C@H]1C2=C(C)C(=O)O1
Standard InCHI	InChI=1S/C15H16O4/c1-5-9-8(18-13(5)16)4-15(2)7-3-6(7)10-11(15)12(9)19-14(10)17/h6-8,12,14,17H,3-4H2,1-2H3/t6-,7+,8-,12-,14-,15-/m0/s1
Standard InCHIKey	IIFNVNIPMCRQPC-YIEVAYSQSA-N
Ingredient External Links	PubChem CID: 50993898 ChEMBL ID: CHEMBL1668790
Plant-Ingredient Association Reference	PMID: 21142110 Database: NPASS [NPC319861]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Chloranthus japonicus	Chloranthus	Chloranthaceae

Ingredient ID: NPC279478
Formula: C40H44O14

Common Name	Shizukaol H
IUPAC Name	n.a.
Canonical SMILES	COC(=O)/C(=C/1C(=O)[C@H](O)[C@@]2(C3=C(C[C@@H]4[C@@]5([C@@H]13)OC(=O)C1=C5C[C@@H]3[C@]4(C)[C@@H]4C[C@@H]4[C@@]3(O)COC(=O)/C=C(C)/COC(=O)[C@H](CC(=O)OC1)O)[C@@H]1[C@H]2C1)C)/C
Standard InCHI	InChI=1S/C40H44O14/c1-15-6-27(42)53-14-39(49)23-9-22(23)37(3)25(39)10-21-19(13-51-28(43)11-24(41)36(48)52-12-15)35(47)54-40(21)26(37)8-18-17-7-20(17)38(4)30(18)31(40)29(32(44)33(38)45)16(2)34(46)50-5/h6,17,20,22-26,31,33,41,45,49H,7-14H2,1-5H3/b15-6+,29-16-/t17-,20-,22-,23+,24+,25-,26+,31+,33+,37+,38+,39+,40+/m1/s1
Standard InCHIKey	PHCXHKSHMYZRPK-WPCIVLODSA-N
Ingredient External Links	PubChem CID: 56659161 ChEMBL ID: CHEMBL1811934
Plant-Ingredient Association Reference	PMID: 21650224 Database: NPASS [NPC279478]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Chloranthus japonicus	Chloranthus	Chloranthaceae

Ingredient ID: NPC241935
Formula: C40H44O13

Common Name	Shizukaol F
IUPAC Name	n.a.
Canonical SMILES	COC(=O)/C(=C/1C(=O)[C@H](O)[C@@]2(C3=C(C[C@@H]4[C@@]5([C@@H]13)OC(=O)C1=C5C[C@@H]3[C@]4(C)[C@@H]4C[C@@H]4[C@@]3(O)COC(=O)/C=C(C)/COC(=O)CCC(=O)OC1)[C@@H]1[C@H]2C1)C)/C
Standard InCHI	InChI=1S/C40H44O13/c1-16-8-29(43)52-15-39(48)24-11-23(24)37(3)25(39)12-22-20(14-51-28(42)7-6-27(41)50-13-16)36(47)53-40(22)26(37)10-19-18-9-21(18)38(4)31(19)32(40)30(33(44)34(38)45)17(2)35(46)49-5/h8,18,21,23-26,32,34,45,48H,6-7,9-15H2,1-5H3/b16-8+,30-17-/t18-,21-,23-,24+,25-,26+,32+,34+,37+,38+,39+,40+/m1/s1
Standard InCHIKey	XOCHXEVAPBOSPH-RCNNXFIWSA-N
Ingredient External Links	PubChem CID: 56681897 ChEMBL ID: CHEMBL1813268
Plant-Ingredient Association Reference	PMID: 21650224 Database: NPASS [NPC241935]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Lepidium apetalum	Lepidium	Brassicaceae
Actinidia deliciosa	Actinidia	Actinidiaceae
Chloranthus japonicus	Chloranthus	Chloranthaceae

Ingredient ID: NPC192334
Formula: C40H44O14

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CO[C@]12OC(=O)C(=C1C1=C3[C@]([C@H]2O)(C)[C@@H]2C[C@@H]2[C@]3(C[C@@H]2[C@@]31OC(=O)C1=C3C[C@@H]3[C@]2(C)[C@@H]2C[C@@H]2[C@@]3(O)COC(=O)/C(=C/COC(=O)CCC(=O)OC1)/C)O)C
Standard InCHI	InChI=1S/C40H44O14/c1-16-8-9-50-26(41)6-7-27(42)51-14-18-19-12-24-35(3,20-10-23(20)38(24,48)15-52-31(16)43)25-13-37(47)22-11-21(22)36(4)30(37)29(39(19,25)53-33(18)45)28-17(2)32(44)54-40(28,49-5)34(36)46/h8,20-25,34,46-48H,6-7,9-15H2,1-5H3/b16-8+/t20-,21-,22+,23+,24-,25+,34-,35+,36+,37+,38+,39+,40+/m1/s1
Standard InCHIKey	NASSYBOEZYWDCR-CTCIEULHSA-N
Ingredient External Links	PubChem CID: 70698149 ChEMBL ID: CHEMBL3809007
Plant-Ingredient Association Reference	PMID: 21650224 Database: NPASS [NPC192334]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Chloranthus japonicus	Chloranthus	Chloranthaceae

Ingredient ID: NPC17938
Formula: C33H38O9

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COC(=O)/C(=C/1C(=O)[C@H](O)[C@@]2(C3=C(C[C@@H]4[C@@]5([C@@H]13)OC(=O)C(=C5C[C@@H]1[C@]4(C)[C@@H]3C[C@@H]3[C@H]1COC(=O)C)CO)[C@@H]1[C@H]2C1)C)/C
Standard InCHI	InChI=1S/C33H38O9/c1-12(29(38)40-5)24-26-25-16(14-6-20(14)32(25,4)28(37)27(24)36)8-23-31(3)19-7-15(19)18(11-41-13(2)35)21(31)9-22-17(10-34)30(39)42-33(22,23)26/h14-15,18-21,23,26,28,34,37H,6-11H2,1-5H3/b24-12-/t14-,15-,18-,19-,20-,21+,23+,26+,28+,31+,32+,33+/m1/s1
Standard InCHIKey	UEHIWILSQZCXQY-LWKKLXHHSA-N
Ingredient External Links	PubChem CID: 70698151 ZINC ID: ZINC000096023755 ChEMBL ID: CHEMBL3810102
Plant-Ingredient Association Reference	PMID: 21650224 Database: NPASS [NPC17938]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Lepidium apetalum	Lepidium	Brassicaceae
Actinidia deliciosa	Actinidia	Actinidiaceae
Chloranthus japonicus	Chloranthus	Chloranthaceae

Ingredient ID: NPC164022
Formula: C15H26O2

Common Name	n.a.
IUPAC Name	(1R,4S,4aR,8aR)-4,8a-dimethyl-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalene-1,4-diol
Canonical SMILES	CC(C1=CC[C@@]2([C@@H](C1)[C@@](C)(O)CC[C@H]2O)C)C
Standard InCHI	InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3)12(9-11)15(4,17)8-6-13(14)16/h5,10,12-13,16-17H,6-9H2,1-4H3/t12-,13-,14-,15+/m1/s1
Standard InCHIKey	SOZSXJHFVBBAOY-TUVASFSCSA-N
Ingredient External Links	PubChem CID: 12313756 ZINC ID: ZINC000040875123
Plant-Ingredient Association Reference	DOI: 10.1016/j.phytol.2016.01.005 Database: NPASS [NPC164022]

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
Eucalyptus apodophylla	Eucalyptus	Myrtaceae
Hypericum polyanthemum	Hypericum	Hypericaceae
Distephanus angulifolius	Distephanus	Asteraceae
Periploca sepium	Periploca	Apocynaceae
Campylotropis hirtella	Campylotropis	Fabaceae
Hedychium spicatum	Hedychium	Zingiberaceae
Breonia chinensis	Breonia	Rubiaceae
Magnolia biondii	Magnolia	Magnoliaceae
Mentha cardiaca	Mentha	Lamiaceae
Rhodiola semenovii	Rhodiola	Crassulaceae
Crotalaria candicans	Crotalaria	Fabaceae
Homalomena occulta	Homalomena	Araceae
Eria japonica	Eria	Orchidaceae
Salvia sessei	Salvia	Lamiaceae
Juniperus drupacea	Juniperus	Cupressaceae
Ceropegia dichotoma	Ceropegia	Apocynaceae
Ononis spinosa	Ononis	Fabaceae
Chloranthus japonicus	Chloranthus	Chloranthaceae
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: NPC161775
Formula: C18H24O7

Common Name	Chlorajapolide E
IUPAC Name	n.a.
Canonical SMILES	OCC1=C2C[C@H]3[C@H](COC(=O)C)[C@@H]4[C@H]([C@@]3([C@@H]([C@@]2(OC1=O)OC)O)C)C4
Standard InCHI	InChI=1S/C18H24O7/c1-8(20)24-7-11-9-4-12(9)17(2)13(11)5-14-10(6-19)15(21)25-18(14,23-3)16(17)22/h9,11-13,16,19,22H,4-7H2,1-3H3/t9-,11-,12-,13+,16+,17+,18-/m1/s1
Standard InCHIKey	OUJYYGQZMSBQBK-JJPRHFNDSA-N
Ingredient External Links	PubChem CID: 50993901 ChEMBL ID: CHEMBL1669182
Plant-Ingredient Association Reference	PMID: 21142110 Database: NPASS [NPC161775]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Chloranthus japonicus	Chloranthus	Chloranthaceae

Ingredient ID: NPC139548
Formula: C10H8O4

Common Name	Isoscopoletin
IUPAC Name	6-hydroxy-7-methoxychromen-2-one
Canonical SMILES	COc1cc2oc(=O)ccc2cc1O
Standard InCHI	InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3
Standard InCHIKey	SYTYLPHCLSSCOJ-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 69894 ZINC ID: ZINC000001845692 ChEMBL ID: CHEMBL390320
Plant-Ingredient Association Reference	Database: NPASS [NPC139548]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Pteris australis	Pteris	Pteridaceae
Epimedium sagittatum	Epimedium	Berberidaceae
Arisarum vulgare	Arisarum	Araceae
Nephelium lappaceum	Nephelium	Sapindaceae
Incarvillea emodi	Incarvillea	Bignoniaceae
Aniba duckei	Aniba	Lauraceae
Nama johnstonii	Nama	Namaceae
Dictamnus gymnostylis	Dictamnus	Rutaceae
Amaioua guianensis	Amaioua	Rubiaceae
Siphonostegia chinensis	Siphonostegia	Orobanchaceae
Notholaena peninsularis	Notholaena	Pteridaceae
Pinus sitchensis	Pinus	Pinaceae
Mcneillia graminifolia	Mcneillia	Caryophyllaceae
Eriogonum nudum	Eriogonum	Polygonaceae
Calanthe arisanensis	Calanthe	Orchidaceae
Veratrum eschscholtzii	Veratrum	Melanthiaceae
Santolina rosmarinifolia	Santolina	Asteraceae
Lobelia chinensis	Lobelia	Campanulaceae
Reaumuria mucronata	Reaumuria	Tamaricaceae
Helianthus divaricatus	Helianthus	Asteraceae
Isodon gesneroides	Isodon	Lamiaceae
Syringa vulgaris	Syringa	Oleaceae
Euphorbia balsamifera	Euphorbia	Euphorbiaceae
Fraxinus chinensis	Fraxinus	Oleaceae
Mucuna sloanei	Mucuna	Fabaceae
Glycyrrhiza pallidiflora	Glycyrrhiza	Fabaceae
Senecio othonniformis	Senecio	Asteraceae
Senecio coahuilensis	Senecio	Asteraceae
Citrus medica	Citrus	Rutaceae
Eucalyptus sieberiana	Eucalyptus	Myrtaceae
Viscum angulatum heyne	Viscum	Viscaceae
Chrysosplenium oppositifolium	Chrysosplenium	Saxifragaceae
Quercus gilva	Quercus	Fagaceae
Swertia decora	Swertia	Gentianaceae
Serratula xeranthemoides	Serratula	Asteraceae
Ochrocarpos odoratus	Ochrocarpos	Clusiaceae
Alphitonia macrocarpa	Alphitonia	Rhamnaceae
Baccharis santelicis	Baccharis	Asteraceae
Choisya arizonica	Choisya	Rutaceae
Erythrina sandwicensis	Erythrina	Fabaceae
Roldana barba-johannis	Roldana	Asteraceae
Sophora davidii	Sophora	Fabaceae
Pittosporum viridiflorum	Pittosporum	Pittosporaceae
Agathosma betulina	Agathosma	Rutaceae
Lycium chinense	Lycium	Solanaceae
Saussurea involucrata	Saussurea	Asteraceae
Artemisia scoparia	Artemisia	Asteraceae
Sideritis nutans	Sideritis	Lamiaceae
Plinia cauliflora	Plinia	Myrtaceae
Zanthoxylum integrifoliolum	Zanthoxylum	Rutaceae
Rothmannia urcelliformis	Rothmannia	Rubiaceae
Althaea officinalis	Althaea	Malvaceae
Hyacinthoides hispanica	Hyacinthoides	Hyacinthaceae
Ranunculus sceleratus	Ranunculus	Ranunculaceae
Solanum melongena l	Solanum	Solanaceae
Actinidia chinensis planch	Actinidia	Actinidiaceae
Lycium barbarum	Lycium	Solanaceae
Viola philippica	Viola	Violaceae
Euphorbia hirta	Euphorbia	Euphorbiaceae
Pseudotaxus chienii	Pseudotaxus	Taxaceae
Berchemia floribunda	Berchemia	Rhamnaceae
Virola sebifera	Virola	Myristicaceae
Tritomaria quinquedentata	Tritomaria	Scapaniaceae
Xylopia brasiliensis	Xylopia	Annonaceae
Glossocalyx brevipes	Glossocalyx	Siparunaceae
Fraxinus stylosa	Fraxinus	Oleaceae
Uncaria guianensis	Uncaria	Rubiaceae
Ilex hainanensis	Ilex	Aquifoliaceae
Betula maximowicziana	Betula	Betulaceae
Canarium album	Canarium	Burseraceae
Morinda citrifolia	Morinda	Rubiaceae
Melicope sarcococca	Melicope	Rutaceae
Nervilia fordii	Nervilia	Orchidaceae
Conyza bonariensis	Conyza	Asteraceae
Hygrophila polysperma	Hygrophila	Acanthaceae
Morus rubra	Morus	Moraceae
Clematis angustifolia	Clematis	Ranunculaceae
Chloranthus japonicus	Chloranthus	Chloranthaceae
Pseudocedrela kotschyi	Pseudocedrela	Meliaceae
Stenomesson miniatum	Stenomesson	Amaryllidaceae
Arnica sachalinensis	Arnica	Asteraceae
Viola mandshurica	Viola	Violaceae
Polypodiodes formosana	Polypodiodes	Polypodiaceae
Fraxinus szaboana	Fraxinus	Oleaceae
Indigofera linnaei	Indigofera	Fabaceae
Aglaia lawii	Aglaia	Meliaceae

Ingredient ID: NPC125037
Formula: C15H22O2

Common Name	n.a.
IUPAC Name	(4aR,5R,8aR)-3,5,8a-trimethyl-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-5-ol
Canonical SMILES	Cc1coc2c1C[C@H]1[C@](C)(O)CCC[C@@]1(C2)C
Standard InCHI	InChI=1S/C15H22O2/c1-10-9-17-12-8-14(2)5-4-6-15(3,16)13(14)7-11(10)12/h9,13,16H,4-8H2,1-3H3/t13-,14-,15-/m1/s1
Standard InCHIKey	SUKDEKGXCURCRC-RBSFLKMASA-N
Ingredient External Links	PubChem CID: 14239916
Plant-Ingredient Association Reference	Database: TCMID [19825]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Lepidium apetalum	Lepidium	Brassicaceae
Actinidia deliciosa	Actinidia	Actinidiaceae
Chloranthus japonicus	Chloranthus	Chloranthaceae

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
NPC125037	C15H22O2	(4aR,5R,8aR)-3,5,8a-trimethyl-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-5-ol	234.1619799	1.0925	2.89	3.289	1	1	33.37	0	3	17	0
NPC139548	C10H8O4	Isoscopoletin	192.04	-0.2421	2.12	1.088	1	1	55.76	3	2	14	0
NPC161775	C18H24O7	Chlorajapolide E	352.15	-1.1003	2.67	0.152	7	2	102.29	10	4	25	0
NPC164022	C15H26O2		238.1932801	0.8766	2.89	2.806	2	2	40.46	7	2	17	0
NPC17938	C33H38O9		578.25	-0.3661	4.1	1.399	9	2	136.43	13	8	42	0
NPC192334	C40H44O14		748.27	-0.5795	4.32	-0.89	14	3	201.42	9	10	54	1
NPC241935	C40H44O13	Shizukaol F	732.28	0.3517	4.43	-0.013	13	2	189.03	9	9	53	1
NPC279478	C40H44O14	Shizukaol H	748.27	-0.3005	4.32	-0.348	14	3	209.26	10	9	54	1
NPC319861	C15H16O4	Chlorajapolide B	260.1	0.4495	2.67	-0.035	4	1	55.76	3	5	19	0
NPC320231	C15H16O4	Chlorajapolide A	260.1	0.279	2.67	-0.077	4	1	63.6	4	4	19	0
NPC321385	C15H18O3	Chlorajapolide C	246.13	0.9896	2.78	0.407	3	1	46.53	4	4	18	0
NPC321556	C32H36O8		548.24	0.9464	4.1	1.208	8	2	127.2	12	7	40	0
NPC327664	C39H42O14		734.26	-0.988	4.21	-0.98	14	4	212.42	8	10	53	1
NPC329435	C15H20O4	Chlorajapolide D	264.14	-0.2733	2.67	0.506	4	2	66.76	5	4	19	0
NPC34963	C40H44O13	Shizukaol B	732.28	0.4584	4.43	0.317	13	2	189.03	9	9	53	1
NPC469674	C35H40O10	Shizukaol C	620.26	-0.3243	4.21	0.725	10	3	156.66	15	8	45	0
NPC53966	C15H22O	(4aS,8aR)-8a-methyl-5-methylidene-3-propan-2-ylidene-1,4,4a,6,7,8-hexahydronaphthalen-2-one	218.1670653	1.9428	3	3.625	1	0	17.07	0	2	16	0
NPC58948	C15H24O		220.1827154	1.5673	3	4.268	1	1	20.23	2	2	16	0
NPC78080	C15H20O	(5Z,9Z)-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan	216.1514153	3.2767	3	3.694	0	0	13.14	0	2	16	0
NPC78594	C15H22O5	Chloraeudolide	282.15	-0.0401	2.56	-0.026	5	3	86.99	6	3	20	0
NPC85670	C21H28O8	Chlorajaposide	408.18	-0.5291	2.89	0.896	8	4	125.68	9	5	29	0

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

27 Known Ingredients in Total

14 Ingredients with Available Activity

Ingredient Structrual Cards

Ingredient ID: NPC85670

Distribution of the ingredient across plants

Ingredient ID: NPC78594

Distribution of the ingredient across plants

Ingredient ID: NPC78080

Distribution of the ingredient across plants

Ingredient ID: NPC58948

Distribution of the ingredient across plants

Ingredient ID: NPC53966

Distribution of the ingredient across plants

Ingredient ID: NPC469674

Distribution of the ingredient across plants

Ingredient ID: NPC34963

Distribution of the ingredient across plants

Ingredient ID: NPC329435

Distribution of the ingredient across plants

Ingredient ID: NPC327664

Distribution of the ingredient across plants

Ingredient ID: NPC321556

Distribution of the ingredient across plants

Ingredient ID: NPC321385

Distribution of the ingredient across plants

Ingredient ID: NPC320231

Distribution of the ingredient across plants

Ingredient ID: NPC319861

Distribution of the ingredient across plants

Ingredient ID: NPC279478

Distribution of the ingredient across plants

Ingredient ID: NPC241935

Distribution of the ingredient across plants

Ingredient ID: NPC192334

Distribution of the ingredient across plants

Ingredient ID: NPC17938

Distribution of the ingredient across plants

Ingredient ID: NPC164022

Distribution of the ingredient across plants

Ingredient ID: NPC161775

Distribution of the ingredient across plants

Ingredient ID: NPC139548

Distribution of the ingredient across plants

Ingredient ID: NPC125037

Distribution of the ingredient across plants

Properties

Download Data