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.

8 Ingredients with Available Activity

Unique ingredients have activity data available.

Ingredient Structrual Cards

Ingredient ID: NPC93770
Formula: C15H8O7

Common Name	n.a.
IUPAC Name	2,4,8,9-tetrahydroxy-[1]benzofuro[3,2-c]chromen-6-one
Canonical SMILES	Oc1cc(O)c2c(c1)c1oc3c(c1c(=O)o2)cc(c(c3)O)O
Standard InCHI	InChI=1S/C15H8O7/c16-5-1-7-13(10(19)2-5)22-15(20)12-6-3-8(17)9(18)4-11(6)21-14(7)12/h1-4,16-19H
Standard InCHIKey	OBEHELRBTWMPHI-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 5318547 ZINC ID: ZINC000014726551
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Eclipta prostrata	Eclipta	Asteraceae
Ephedra intermedia	Ephedra	Ephedraceae
Garcinia lucida	Garcinia	Clusiaceae

Ingredient ID: NPC86477
Formula: C16H10O7

Common Name	Wedelolactone
IUPAC Name	1,8,9-trihydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one
Canonical SMILES	COc1cc(O)c2c(c1)oc(=O)c1c2oc2c1cc(c(c2)O)O
Standard InCHI	InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3
Standard InCHIKey	XQDCKJKKMFWXGB-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 5281813 ZINC ID: ZINC000006483512 ChEMBL ID: CHEMBL97453
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC86477]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Eclipta prostrata	Eclipta	Asteraceae
Ephedra intermedia	Ephedra	Ephedraceae
Platycladus orientalis	Platycladus	Cupressaceae
Garcinia lucida	Garcinia	Clusiaceae

Ingredient ID: NPC67485
Formula: C13H9ClOS

Common Name	n.a.
IUPAC Name	(2S)-1-chloro-4-(5-penta-1,3-diynylthiophen-2-yl)but-3-yn-2-ol
Canonical SMILES	CC#CC#Cc1ccc(s1)C#C[C@@H](CCl)O
Standard InCHI	InChI=1S/C13H9ClOS/c1-2-3-4-5-12-8-9-13(16-12)7-6-11(15)10-14/h8-9,11,15H,10H2,1H3/t11-/m0/s1
Standard InCHIKey	YSYBCKHAFOAQDX-NSHDSACASA-N
Ingredient External Links	PubChem CID: 86310851 ZINC ID: ZINC000013386439
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Ephedra intermedia	Ephedra	Ephedraceae
Garcinia lucida	Garcinia	Clusiaceae

Ingredient ID: NPC471489
Formula: C33H39NO5

Common Name	Lucidamine B
IUPAC Name	1-[(6S)-2,3-dihydroxy-7,8-dimethoxy-5-methyl-1,4-bis(2-methylbut-3-en-2-yl)-6H-benzo[c]phenanthridin-6-yl]propan-2-one
Canonical SMILES	C=CC(c1c(O)c(O)c(c2c1c1N(C)[C@@H](CC(=O)C)c3c(c1cc2)ccc(c3OC)OC)C(C=C)(C)C)(C)C
Standard InCHI	InChI=1S/C33H39NO5/c1-11-32(4,5)26-21-14-13-20-19-15-16-23(38-9)31(39-10)24(19)22(17-18(3)35)34(8)28(20)25(21)27(30(37)29(26)36)33(6,7)12-2/h11-16,22,36-37H,1-2,17H2,3-10H3/t22-/m0/s1
Standard InCHIKey	JBKDWQUWYFBOCS-QFIPXVFZSA-N
Ingredient External Links	PubChem CID: 23656475 ChEMBL ID: CHEMBL252914
Plant-Ingredient Association Reference	PMID: 17880175 Database: NPASS [NPC471489]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Garcinia lucida	Garcinia	Clusiaceae

Ingredient ID: NPC302731
Formula: C15H12O2S2

Common Name	n.a.
IUPAC Name	[5-(5-but-3-en-1-ynylthiophen-2-yl)thiophen-2-yl]methyl acetate
Canonical SMILES	C=CC#Cc1ccc(s1)c1ccc(s1)COC(=O)C
Standard InCHI	InChI=1S/C15H12O2S2/c1-3-4-5-12-6-8-14(18-12)15-9-7-13(19-15)10-17-11(2)16/h3,6-9H,1,10H2,2H3
Standard InCHIKey	SYEWLUATUDURPR-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 5315563 ZINC ID: ZINC000013380415
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Ephedra intermedia	Ephedra	Ephedraceae
Garcinia lucida	Garcinia	Clusiaceae
Buphthalmum salicifolium	Buphthalmum	Asteraceae

Ingredient ID: NPC281090
Formula: C37H58O10

Common Name	n.a.
IUPAC Name	(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxycarbonyloxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Canonical SMILES	COC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)CC2)C(=O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C37H58O10/c1-32(2)15-16-37(31(43)44)20(17-32)19-9-10-22-34(5)13-12-24(46-30-27(41)25(39)26(40)28(47-30)29(42)45-8)33(3,4)21(34)11-14-35(22,6)36(19,7)18-23(37)38/h9,20-28,30,38-41H,10-18H2,1-8H3,(H,43,44)/t20-,21-,22+,23+,24-,25-,26-,27+,28-,30+,34-,35+,36+,37+/m0/s1
Standard InCHIKey	UKUKDKRGVVIVIE-KNMYWLITSA-N
Ingredient External Links	PubChem CID: 21626559
Plant-Ingredient Association Reference	Database: UNPD [UNPD175185]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Ephedra intermedia	Ephedra	Ephedraceae
Garcinia lucida	Garcinia	Clusiaceae

Ingredient ID: NPC248874
Formula: C44H70O15

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H](OC(=O)[C@@]23CCC(C[C@H]3C3=CC[C@H]4[C@@]([C@@]3(C[C@@H]2O)C)(C)CC[C@@H]2[C@]4(C)CC[C@@H](C2(C)C)O[C@@H]2O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]2O)O)O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C44H70O15/c1-21(46)55-20-25-31(49)33(51)34(52)36(57-25)58-29-12-13-41(6)26(40(29,4)5)11-14-42(7)27(41)10-9-22-23-17-39(2,3)15-16-44(23,28(47)18-43(22,42)8)38(54)59-37-35(53)32(50)30(48)24(19-45)56-37/h9,23-37,45,47-53H,10-20H2,1-8H3/t23-,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,41-,42+,43+,44+/m0/s1
Standard InCHIKey	HCCNENQXPLRPCN-RFCMOCHSSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD213562]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Ephedra intermedia	Ephedra	Ephedraceae
Garcinia lucida	Garcinia	Clusiaceae

Ingredient ID: NPC238247
Formula: C36H58O9

Common Name	n.a.
IUPAC Name	(4aR,5S,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@@H]([C@@]2([C@H]3CC(C)(C)CC2)C(=O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C36H58O9/c1-31(2)14-15-36(30(42)43)20(16-31)19-8-9-23-33(5)12-11-25(45-29-28(41)27(40)26(39)21(18-37)44-29)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)/t20-,21+,22-,23+,24-,25-,26+,27-,28+,29-,33-,34+,35+,36+/m0/s1
Standard InCHIKey	WYDPEADEZMZKNM-USLJWFFESA-N
Ingredient External Links	PubChem CID: 102004874 ZINC ID: ZINC000095910858
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Ephedra intermedia	Ephedra	Ephedraceae
Garcinia lucida	Garcinia	Clusiaceae

Ingredient ID: NPC23706
Formula: C44H70O15

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H](OC(=O)[C@@]23CCC(C[C@H]3C3=CC[C@H]4[C@@]([C@@]3(C[C@@H]2O)C)(C)CC[C@@H]2[C@]4(C)CC[C@@H](C2(C)C)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2OC(=O)C)O)O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C44H70O15/c1-21(47)55-35-33(52)31(50)25(20-46)57-37(35)58-29-12-13-41(6)26(40(29,4)5)11-14-42(7)27(41)10-9-22-23-17-39(2,3)15-16-44(23,28(48)18-43(22,42)8)38(54)59-36-34(53)32(51)30(49)24(19-45)56-36/h9,23-37,45-46,48-53H,10-20H2,1-8H3/t23-,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,41-,42+,43+,44+/m0/s1
Standard InCHIKey	LGMWFKONNQTKMT-RFCMOCHSSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD211421]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Ephedra intermedia	Ephedra	Ephedraceae
Garcinia lucida	Garcinia	Clusiaceae

Ingredient ID: NPC235589
Formula: C12H6S

Common Name	n.a.
IUPAC Name	2-buta-1,3-diynyl-5-but-3-en-1-ynylthiophene
Canonical SMILES	C=CC#Cc1ccc(s1)C#CC#C
Standard InCHI	InChI=1S/C12H6S/c1-3-5-7-11-9-10-12(13-11)8-6-4-2/h1,4,9-10H,2H2
Standard InCHIKey	QVLQCDBLHFENOC-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 5315560 ZINC ID: ZINC000013380204
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Eclipta prostrata	Eclipta	Asteraceae
Ephedra intermedia	Ephedra	Ephedraceae
Garcinia lucida	Garcinia	Clusiaceae

Ingredient ID: NPC223576
Formula: C50H82O19

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CCO[C@H]1C[C@]2(C)C(=CC[C@@H]3[C@@]2(C)CC[C@H]2[C@]3(C)CC[C@H](C2(C)C)O[C@H]2O[C@@H](CO)[C@@H]([C@H]([C@@H]2O[C@H]2O[C@@H](CO)[C@@H]([C@H]([C@@H]2O)O)O)O)O)[C@@H]2[C@@]1(CCC(C2)(C)C)C(=O)O[C@H]1O[C@@H](CO)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C50H82O19/c1-9-63-31-19-49(8)23(24-18-45(2,3)16-17-50(24,31)44(62)69-42-39(61)36(58)33(55)26(21-52)65-42)10-11-29-47(6)14-13-30(46(4,5)28(47)12-15-48(29,49)7)67-43-40(37(59)34(56)27(22-53)66-43)68-41-38(60)35(57)32(54)25(20-51)64-41/h10,24-43,51-61H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28-,29+,30-,31+,32+,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43-,47+,48-,49-,50-/m1/s1
Standard InCHIKey	ZYKKXODJGWOMGM-KDBVGFATSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD190248]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Ephedra intermedia	Ephedra	Ephedraceae
Garcinia lucida	Garcinia	Clusiaceae

Ingredient ID: NPC222505
Formula: C48H78O19

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@@H]1O[C@H](O[C@@H]2CC[C@]3([C@@H](C2(C)C)CC[C@@]2([C@H]3CC=C3[C@@]2(C)C[C@@H]([C@@]2([C@@H]3CC(C)(C)CC2)C(=O)O[C@H]2O[C@@H](CO)[C@@H]([C@H]([C@@H]2O)O)O)O)C)C)[C@H]([C@@H]([C@H]1O[C@H]1O[C@@H](CO)[C@@H]([C@H]([C@@H]1O)O)O)O)O
Standard InCHI	InChI=1S/C48H78O19/c1-43(2)14-15-48(42(61)67-41-36(59)33(56)31(54)24(19-50)63-41)22(16-43)21-8-9-27-45(5)12-11-29(44(3,4)26(45)10-13-46(27,6)47(21,7)17-28(48)52)65-39-37(60)34(57)38(25(20-51)64-39)66-40-35(58)32(55)30(53)23(18-49)62-40/h8,22-41,49-60H,9-20H2,1-7H3/t22-,23+,24+,25+,26-,27+,28+,29-,30+,31+,32-,33-,34+,35+,36+,37+,38+,39-,40-,41-,45+,46-,47-,48-/m1/s1
Standard InCHIKey	NQUMPFSQDYUTGM-TVQPCHKXSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD181433]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Ephedra intermedia	Ephedra	Ephedraceae
Garcinia lucida	Garcinia	Clusiaceae

Ingredient ID: NPC221101
Formula: C15H8O7

Common Name	n.a.
IUPAC Name	1,3,8,9-tetrahydroxy-[1]benzofuro[3,2-c]chromen-6-one
Canonical SMILES	Oc1cc(O)c2c(c1)oc(=O)c1c2oc2c1cc(c(c2)O)O
Standard InCHI	InChI=1S/C15H8O7/c16-5-1-9(19)13-11(2-5)22-15(20)12-6-3-7(17)8(18)4-10(6)21-14(12)13/h1-4,16-19H
Standard InCHIKey	LUTYTNLPIUCKBJ-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 5489605 ZINC ID: ZINC000014726530
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Thalictrum longistylum	Thalictrum	Ranunculaceae
Eclipta prostrata	Eclipta	Asteraceae
Ephedra intermedia	Ephedra	Ephedraceae
Thalictrum podocarpum	Thalictrum	Ranunculaceae
Garcinia lucida	Garcinia	Clusiaceae

Ingredient ID: NPC213063
Formula: C15H12O2S3

Common Name	n.a.
IUPAC Name	[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl acetate
Canonical SMILES	CC(=O)OCc1ccc(s1)c1ccc(s1)c1cccs1
Standard InCHI	InChI=1S/C15H12O2S3/c1-10(16)17-9-11-4-5-14(19-11)15-7-6-13(20-15)12-3-2-8-18-12/h2-8H,9H2,1H3
Standard InCHIKey	CGONEINYOMPEIT-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 5321832 ZINC ID: ZINC000014721940
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Ephedra intermedia	Ephedra	Ephedraceae
Garcinia lucida	Garcinia	Clusiaceae

Ingredient ID: NPC195713
Formula: C12H8S3

Common Name	Alpha-Terthienyl
IUPAC Name	2,5-dithiophen-2-ylthiophene
Canonical SMILES	c1csc(c1)c1ccc(s1)c1cccs1
Standard InCHI	InChI=1S/C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10/h1-8H
Standard InCHIKey	KXSFECAJUBPPFE-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 65067 ZINC ID: ZINC000000109841 ChEMBL ID: CHEMBL90017
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC195713]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Trachycarpus fortunei	Trachycarpus	Arecaceae
Eclipta prostrata	Eclipta	Asteraceae
Ephedra intermedia	Ephedra	Ephedraceae
Allium ampeloprasum	Allium	Amaryllidaceae
Echinops setifer	Echinops	Asteraceae
Garcinia lucida	Garcinia	Clusiaceae
Rhaponticum uniflorum	Rhaponticum	Asteraceae
Echinopsis radix	Echinopsis	Cactaceae
Eleutherococcus giraldii	Eleutherococcus	Araliaceae
Echinopsis latifolius	Echinopsis	Cactaceae
Tribulus terrestris	Tribulus	Zygophyllaceae

Ingredient ID: NPC193906
Formula: C24H23NO5

Common Name	6-Acetonyldihydrochelerythrine
IUPAC Name	1-[(13S)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]propan-2-one
Canonical SMILES	COc1c(OC)ccc2c1[C@H](CC(=O)C)N(C)c1c2ccc2c1cc1OCOc1c2
Standard InCHI	InChI=1S/C24H23NO5/c1-13(26)9-18-22-15(7-8-19(27-3)24(22)28-4)16-6-5-14-10-20-21(30-12-29-20)11-17(14)23(16)25(18)2/h5-8,10-11,18H,9,12H2,1-4H3/t18-/m0/s1
Standard InCHIKey	VGTQLFWIJIABSU-SFHVURJKSA-N
Ingredient External Links	PubChem CID: 185516 ZINC ID: ZINC000000900902 ChEMBL ID: CHEMBL250267
Plant-Ingredient Association Reference	PMID: 17880175 Database: NPASS [NPC193906]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Garcinia lucida	Garcinia	Clusiaceae
Argemone mexicana	Argemone	Papaveraceae
Cephalocroton cordofanus	Cephalocroton	Euphorbiaceae

Ingredient ID: NPC182570
Formula: C10H14N2

Common Name	Nicotine
IUPAC Name	3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
Canonical SMILES	CN1CCC[C@H]1c1cccnc1
Standard InCHI	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
Standard InCHIKey	SNICXCGAKADSCV-JTQLQIEISA-N
Ingredient External Links	PubChem CID: 89594 ZINC ID: ZINC000000391812 ChEMBL ID: CHEMBL3
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC182570]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Ephedra intermedia	Ephedra	Ephedraceae
Garcinia lucida	Garcinia	Clusiaceae
Piper nigrum	Piper	Piperaceae
Meconopsis punicea	Meconopsis	Papaveraceae
Euonymus alatus	Euonymus	Celastraceae
Papaver bracteatum	Papaver	Papaveraceae
Laurus nobilis	Laurus	Lauraceae

Ingredient ID: NPC182566
Formula: C12H7ClOS

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	ClC[C@@H](C#Cc1ccc(s1)C#CC#C)O
Standard InCHI	InChI=1S/C12H7ClOS/c1-2-3-4-11-7-8-12(15-11)6-5-10(14)9-13/h1,7-8,10,14H,9H2/t10-/m1/s1
Standard InCHIKey	VDWVTFUECRWWOG-SNVBAGLBSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD77269]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Ephedra intermedia	Ephedra	Ephedraceae
Garcinia lucida	Garcinia	Clusiaceae

Ingredient ID: NPC179704
Formula: C21H19NO4

Common Name	Dihydrochelerythrine
IUPAC Name	1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine
Canonical SMILES	COc1c(OC)ccc2c1CN(C)c1c2ccc2c1cc1OCOc1c2
Standard InCHI	InChI=1S/C21H19NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-9H,10-11H2,1-3H3
Standard InCHIKey	ALZAZMCIBRHMFF-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 485077 ZINC ID: ZINC000004716567 ChEMBL ID: CHEMBL400359
Plant-Ingredient Association Reference	PMID: 17880175 Database: NPASS [NPC179704]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Glycosmis pseudoracemosa	Glycosmis	Rutaceae
Corydalis persica	Corydalis	Papaveraceae
Inula grantioides	Inula	Asteraceae
Chelidonium majus	Chelidonium	Papaveraceae
Juniperus horizontalis	Juniperus	Cupressaceae
Strychnos spinosa	Strychnos	Loganiaceae
Coptis japonica	Coptis	Ranunculaceae
Amomum daniellii	Amomum	Zingiberaceae
Plectranthus caninus	Plectranthus	Lamiaceae
Lathyrus tingitanus	Lathyrus	Fabaceae
Rauvolfia salicifolia	Rauvolfia	Apocynaceae
Balanophora japonica	Balanophora	Balanophoraceae
Cota tinctoria	Cota	Asteraceae
Garcinia xanthochymus	Garcinia	Clusiaceae
Coptis deltoidea	Coptis	Ranunculaceae
Alchornea cordifolia	Alchornea	Euphorbiaceae
Tetradium glabrifolium	Tetradium	Rutaceae
Garcinia lucida	Garcinia	Clusiaceae
Coptis teeta	Coptis	Ranunculaceae
Corydalis rhizoma	Corydalis	Papaveraceae
Corynanthe pachyceras	Corynanthe	Rubiaceae
Zanthoxylum bungeanum	Zanthoxylum	Rutaceae
Peucedanum oroselinum	Peucedanum	Apiaceae
Cynoglossum amabile	Cynoglossum	Boraginaceae
Coptis chinensis	Coptis	Ranunculaceae
Atalantia wightii	Atalantia	Rutaceae
Toddalia asiatica	Toddalia	Rutaceae
Rehmannia glutinosa	Rehmannia	Orobanchaceae
Zanthoxylum nitidum	Zanthoxylum	Rutaceae

Ingredient ID: NPC17677
Formula: C23H23NO5

Common Name	Lucidamine A
IUPAC Name	1-[(6S)-2,3-dihydroxy-7,8-dimethoxy-5-methyl-6H-benzo[c]phenanthridin-6-yl]propan-2-one
Canonical SMILES	COc1c(OC)ccc2c1[C@H](CC(=O)C)N(C)c1c2ccc2c1cc(O)c(c2)O
Standard InCHI	InChI=1S/C23H23NO5/c1-12(25)9-17-21-14(7-8-20(28-3)23(21)29-4)15-6-5-13-10-18(26)19(27)11-16(13)22(15)24(17)2/h5-8,10-11,17,26-27H,9H2,1-4H3/t17-/m0/s1
Standard InCHIKey	OZFFCUIRRDOAHH-KRWDZBQOSA-N
Ingredient External Links	PubChem CID: 23656474 ZINC ID: ZINC000028969961 ChEMBL ID: CHEMBL399861
Plant-Ingredient Association Reference	PMID: 17880175 Database: NPASS [NPC17677]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Garcinia lucida	Garcinia	Clusiaceae

Ingredient ID: NPC173019
Formula: C13H10OS3

Common Name	Alpha-Terthienylmethanol
IUPAC Name	[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methanol
Canonical SMILES	OCc1ccc(s1)c1ccc(s1)c1cccs1
Standard InCHI	InChI=1S/C13H10OS3/c14-8-9-3-4-12(16-9)13-6-5-11(17-13)10-2-1-7-15-10/h1-7,14H,8H2
Standard InCHIKey	WAYZWWNNJZMQCQ-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 454740 ZINC ID: ZINC000006567211 ChEMBL ID: CHEMBL90170
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC173019]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Eclipta prostrata	Eclipta	Asteraceae
Ephedra intermedia	Ephedra	Ephedraceae
Garcinia lucida	Garcinia	Clusiaceae

Ingredient ID: NPC171437
Formula: C25H52O

Common Name	n.a.
IUPAC Name	pentacosan-13-ol
Canonical SMILES	CCCCCCCCCCCCC(CCCCCCCCCCCC)O
Standard InCHI	InChI=1S/C25H52O/c1-3-5-7-9-11-13-15-17-19-21-23-25(26)24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3
Standard InCHIKey	VQPXKBBANDVCGT-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 14926689 ZINC ID: ZINC000095911865
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Ephedra intermedia	Ephedra	Ephedraceae
Garcinia lucida	Garcinia	Clusiaceae

Ingredient ID: NPC149172
Formula: C36H58O9

Common Name	n.a.
IUPAC Name	(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)CC2)C(=O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C36H58O9/c1-31(2)14-15-36(30(42)43)20(16-31)19-8-9-23-33(5)12-11-25(45-29-28(41)27(40)26(39)21(18-37)44-29)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)/t20-,21+,22-,23+,24+,25-,26+,27-,28+,29-,33-,34+,35+,36+/m0/s1
Standard InCHIKey	WYDPEADEZMZKNM-ZBKPBKBGSA-N
Ingredient External Links	PubChem CID: 476537
Plant-Ingredient Association Reference	Database: UNPD [UNPD150474]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Eclipta prostrata	Eclipta	Asteraceae
Ephedra intermedia	Ephedra	Ephedraceae
Garcinia lucida	Garcinia	Clusiaceae

Ingredient ID: NPC143274
Formula: C44H70O15

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@@H]([C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]2O)O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C44H70O15/c1-21(46)55-20-25-31(49)33(51)35(53)37(57-25)59-38(54)44-16-15-39(2,3)17-23(44)22-9-10-27-41(6)13-12-29(58-36-34(52)32(50)30(48)24(19-45)56-36)40(4,5)26(41)11-14-42(27,7)43(22,8)18-28(44)47/h9,23-37,45,47-53H,10-20H2,1-8H3/t23-,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,41-,42+,43+,44+/m0/s1
Standard InCHIKey	VIWLORQGACBZRK-RFCMOCHSSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD215628]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Ephedra intermedia	Ephedra	Ephedraceae
Garcinia lucida	Garcinia	Clusiaceae

Ingredient ID: NPC121126
Formula: C21H18O12

Common Name	n.a.
IUPAC Name	1,8,9-trihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-[1]benzofuro[3,2-c]chromen-6-one
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(=O)c2c3oc3c2cc(c(c3)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C21H18O12/c22-5-13-16(26)17(27)18(28)21(33-13)30-6-1-10(25)15-12(2-6)32-20(29)14-7-3-8(23)9(24)4-11(7)31-19(14)15/h1-4,13,16-18,21-28H,5H2/t13-,16-,17+,18-,21-/m1/s1
Standard InCHIKey	HKFFFIWYFPSUML-GUFUGUNKSA-N
Ingredient External Links	PubChem CID: 6325048 ZINC ID: ZINC000038321689
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Eclipta prostrata	Eclipta	Asteraceae
Ephedra intermedia	Ephedra	Ephedraceae
Garcinia lucida	Garcinia	Clusiaceae

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
NPC121126	C21H18O12	1,8,9-trihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-[1]benzofuro[3,2-c]chromen-6-one	462.079826	-3.8333	2.45	-0.653	6	7	199.51	3	5	33	1
NPC143274	C44H70O15		838.4714715	-1.7155	4.65	5.926	15	8	242.13	9	7	59	3
NPC149172	C36H58O9	(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid	634.4080834	-0.1902	4.43	6.921	9	6	156.91	4	6	45	2
NPC171437	C25H52O	pentacosan-13-ol	368.4018163	-6.7441	4.1	12.48	1	1	20.23	22	0	26	2
NPC173019	C13H10OS3	Alpha-Terthienylmethanol	277.99	1.3231	2.45	3.673	1	1	104.95	4	3	17	0
NPC17677	C23H23NO5	Lucidamine A	393.16	-1.1782	3.33	2.538	2	2	79.23	10	4	29	0
NPC179704	C21H19NO4	Dihydrochelerythrine	349.13	-0.2792	3.22	3.232	1	0	40.16	5	5	26	0
NPC182566	C12H7ClOS		233.9906135	2.7815	2.45	3.244	1	1	48.47	1	1	15	0
NPC182570	C10H14N2	Nicotine	162.12	-0.4993	2.34	1.485	2	0	16.13	2	2	12	0
NPC193906	C24H23NO5	6-Acetonyldihydrochelerythrine	405.16	-0.5603	3.44	3.074	2	0	57.23	8	5	30	0
NPC195713	C12H8S3	Alpha-Terthienyl	247.98	1.7718	2.45	4.693	0	0	84.72	2	3	15	0
NPC213063	C15H12O2S3	[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl acetate	319.9999426	1.7022	2.56	4.413	2	0	111.02	5	3	20	0
NPC221101	C15H8O7	1,3,8,9-tetrahydroxy-[1]benzofuro[3,2-c]chromen-6-one	300.0270026	-2.0864	2.34	0.455	1	4	120.36	0	4	22	0
NPC222505	C48H78O19		958.5137303	-3.8415	4.65	3.649	19	12	315.21	10	8	67	2
NPC223576	C50H82O19		986.5450304	-3.1826	4.87	4.591	19	11	304.21	12	8	69	3
NPC235589	C12H6S	2-buta-1,3-diynyl-5-but-3-en-1-ynylthiophene	182.0190212	3.2438	2.67	4.124	0	0	28.24	0	1	13	0
NPC23706	C44H70O15		838.4714715	-1.7155	4.65	5.926	15	8	242.13	9	7	59	3
NPC238247	C36H58O9	(4aR,5S,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid	634.4080834	-0.1902	4.43	6.921	9	6	156.91	4	6	45	2
NPC248874	C44H70O15		838.4714715	-1.7155	4.65	5.926	15	8	242.13	9	7	59	3
NPC281090	C37H58O10	(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxycarbonyloxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid	662.4029981	0.163	4.43	7.399	10	5	162.98	5	6	47	1
NPC302731	C15H12O2S2	[5-(5-but-3-en-1-ynylthiophen-2-yl)thiophen-2-yl]methyl acetate	288.0278716	2.4095	2.67	4.348	2	0	82.78	4	2	19	0
NPC471489	C33H39NO5	Lucidamine B	529.28	2.0652	4.43	6.138	2	2	79.23	18	4	39	1
NPC67485	C13H9ClOS	(2S)-1-chloro-4-(5-penta-1,3-diynylthiophen-2-yl)but-3-yn-2-ol	248.0062636	3.249	2.56	3.843	1	1	48.47	1	1	16	0
NPC86477	C16H10O7	Wedelolactone	314.04	-1.6779	2.45	0.974	1	3	109.36	5	4	23	0
NPC93770	C15H8O7	2,4,8,9-tetrahydroxy-[1]benzofuro[3,2-c]chromen-6-one	300.0270026	-2.0864	2.34	0.455	1	4	120.36	0	4	22	0

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