CMAUP Plant Ingredients

21 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.

10 Ingredients with Available Activity

Unique ingredients have activity data available.

Ingredient Structrual Cards

Ingredient ID: NPC91868
Formula: C21H15N3O3

Common Name	Trigonostemine C
IUPAC Name	n.a.
Canonical SMILES	COc1ccc2c(c1)[nH]c1c2ccnc1C(=O)c1c(O)[nH]c2c1cccc2
Standard InCHI	InChI=1S/C21H15N3O3/c1-27-11-6-7-12-13-8-9-22-19(18(13)23-16(12)10-11)20(25)17-14-4-2-3-5-15(14)24-21(17)26/h2-10,23-24,26H,1H3
Standard InCHIKey	KXSXMTWFKGXALP-UHFFFAOYSA-N
Ingredient External Links	ChEMBL ID: CHEMBL1957110
Plant-Ingredient Association Reference	PMID: 22342628 Database: NPASS [NPC91868]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Trigonostemon lii	Trigonostemon	Euphorbiaceae

Ingredient ID: NPC66777
Formula: C19H15N3O2

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1ccc2c(c1)nc1n(c2=O)CCc2c1[nH]c1c2cccc1
Standard InCHI	InChI=1S/C19H15N3O2/c1-24-11-6-7-14-16(10-11)21-18-17-13(8-9-22(18)19(14)23)12-4-2-3-5-15(12)20-17/h2-7,10,20H,8-9H2,1H3
Standard InCHIKey	JDYVBLKLNUFKBD-UHFFFAOYSA-N
Ingredient External Links	ChEMBL ID: CHEMBL312248
Plant-Ingredient Association Reference	PMID: 22342628 Database: NPASS [NPC66777]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Oricia suaveolens	Oricia	Rutaceae
Trigonostemon lii	Trigonostemon	Euphorbiaceae

Ingredient ID: NPC63971
Formula: C21H15N3O3

Common Name	Trigonostemine D
IUPAC Name	n.a.
Canonical SMILES	COc1ccc2c(c1)[nH]c(c2C(=O)c1nccc2c1[nH]c1c2cccc1)O
Standard InCHI	InChI=1S/C21H15N3O3/c1-27-11-6-7-14-16(10-11)24-21(26)17(14)20(25)19-18-13(8-9-22-19)12-4-2-3-5-15(12)23-18/h2-10,23-24,26H,1H3
Standard InCHIKey	KTOHBGJWOKYCIT-UHFFFAOYSA-N
Ingredient External Links	ChEMBL ID: CHEMBL1957111
Plant-Ingredient Association Reference	PMID: 22342628 Database: NPASS [NPC63971]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Trigonostemon lii	Trigonostemon	Euphorbiaceae

Ingredient ID: NPC50686
Formula: C15H18N2O

Common Name	n.a.
IUPAC Name	2-[[2-(methoxymethyl)anilino]methyl]aniline
Canonical SMILES	COCc1ccccc1NCc1ccccc1N
Standard InCHI	InChI=1S/C15H18N2O/c1-18-11-13-7-3-5-9-15(13)17-10-12-6-2-4-8-14(12)16/h2-9,17H,10-11,16H2,1H3
Standard InCHIKey	NQTMQERLPBHIAG-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 66385053
Plant-Ingredient Association Reference	Database: UNPD [UNPD103446]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Coptis japonica	Coptis	Ranunculaceae
Trigonostemon lii	Trigonostemon	Euphorbiaceae

Ingredient ID: NPC471762
Formula: C19H15N3O2

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1ccc2c(c1)[nH]c1c2CCn2c1nc1ccccc1c2=O
Standard InCHI	InChI=1S/C19H15N3O2/c1-24-11-6-7-12-13-8-9-22-18(17(13)20-16(12)10-11)21-15-5-3-2-4-14(15)19(22)23/h2-7,10,20H,8-9H2,1H3
Standard InCHIKey	POMASUJAYQAJQZ-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 378228 ChEMBL ID: CHEMBL312149
Plant-Ingredient Association Reference	PMID: 22342628 Database: NPASS [NPC471762]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Trigonostemon lii	Trigonostemon	Euphorbiaceae

Ingredient ID: NPC285558
Formula: C21H17N3O

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1ccc2c(c1)nccc2C1=NCCc2c1[nH]c1c2cccc1
Standard InCHI	InChI=1S/C21H17N3O/c1-25-13-6-7-15-16(8-10-22-19(15)12-13)20-21-17(9-11-23-20)14-4-2-3-5-18(14)24-21/h2-8,10,12,24H,9,11H2,1H3
Standard InCHIKey	NLVZCPMCDXOEPT-UHFFFAOYSA-N
Ingredient External Links
Plant-Ingredient Association Reference	PMID: 22342628 Database: NPASS [NPC285558]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Trigonostemon lii	Trigonostemon	Euphorbiaceae

Ingredient ID: NPC260434
Formula: C14H12N2O3

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1ccc2c(c1)[nH]c1c2ccnc1C(=O)OC
Standard InCHI	InChI=1S/C14H12N2O3/c1-18-8-3-4-9-10-5-6-15-13(14(17)19-2)12(10)16-11(9)7-8/h3-7,16H,1-2H3
Standard InCHIKey	GGTFWDPYRXONGD-UHFFFAOYSA-N
Ingredient External Links
Plant-Ingredient Association Reference	PMID: 22342628 Database: NPASS [NPC260434]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Trigonostemon lii	Trigonostemon	Euphorbiaceae

Ingredient ID: NPC235685
Formula: C21H15N3O2

Common Name	Trigonostemine A
IUPAC Name	1H-indol-3-yl-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)methanone
Canonical SMILES	COc1ccc2c(c1)[nH]c1c2ccnc1C(=O)c1c[nH]c2c1cccc2
Standard InCHI	InChI=1S/C21H15N3O2/c1-26-12-6-7-14-15-8-9-22-20(19(15)24-18(14)10-12)21(25)16-11-23-17-5-3-2-4-13(16)17/h2-11,23-24H,1H3
Standard InCHIKey	PGGWEUVCQQRYQR-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 57345601 ChEMBL ID: CHEMBL1957108
Plant-Ingredient Association Reference	PMID: 22342628 Database: NPASS [NPC235685]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Trigonostemon lii	Trigonostemon	Euphorbiaceae

Ingredient ID: NPC213530
Formula: C21H15N3O2

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1ccc2c(c1)nccc2c1nc(O)cc2c1[nH]c1c2cccc1
Standard InCHI	InChI=1S/C21H15N3O2/c1-26-12-6-7-14-15(8-9-22-18(14)10-12)20-21-16(11-19(25)24-20)13-4-2-3-5-17(13)23-21/h2-11,23H,1H3,(H,24,25)
Standard InCHIKey	PPXQLIICQQDSIF-UHFFFAOYSA-N
Ingredient External Links
Plant-Ingredient Association Reference	PMID: 22342628 Database: NPASS [NPC213530]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Trigonostemon lii	Trigonostemon	Euphorbiaceae

Ingredient ID: NPC202969
Formula: C8H11NO

Common Name	n.a.
IUPAC Name	2-(methoxymethyl)aniline
Canonical SMILES	COCc1ccccc1N
Standard InCHI	InChI=1S/C8H11NO/c1-10-6-7-4-2-3-5-8(7)9/h2-5H,6,9H2,1H3
Standard InCHIKey	ZHERWZMAGGWSIX-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 12334306
Plant-Ingredient Association Reference	Database: UNPD [UNPD120186]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Coptis japonica	Coptis	Ranunculaceae
Trigonostemon lii	Trigonostemon	Euphorbiaceae

Ingredient ID: NPC193267
Formula: C21H15N3O2

Common Name	Trigonostemine E
IUPAC Name	7-methoxy-1-quinolin-4-yl-2,9-dihydropyrido[3,4-b]indol-3-one
Canonical SMILES	COc1ccc2c(c1)[nH]c1c2cc(nc1c1ccnc2c1cccc2)O
Standard InCHI	InChI=1S/C21H15N3O2/c1-26-12-6-7-14-16-11-19(25)24-20(21(16)23-18(14)10-12)15-8-9-22-17-5-3-2-4-13(15)17/h2-11,23H,1H3,(H,24,25)
Standard InCHIKey	YDXLVLLGEJJBBH-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 57391301 ChEMBL ID: CHEMBL1957112
Plant-Ingredient Association Reference	PMID: 22342628 Database: NPASS [NPC193267]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Trigonostemon lii	Trigonostemon	Euphorbiaceae

Ingredient ID: NPC169597
Formula: C7H9NO

Common Name	n.a.
IUPAC Name	(2-aminophenyl)methanol
Canonical SMILES	OCc1ccccc1N
Standard InCHI	InChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2
Standard InCHIKey	VYFOAVADNIHPTR-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 21439
Plant-Ingredient Association Reference	Database: UNPD [UNPD165323]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Coptis japonica	Coptis	Ranunculaceae
Trigonostemon lii	Trigonostemon	Euphorbiaceae

Ingredient ID: NPC167860
Formula: C21H15N3O

Common Name	Trigonostemonine C
IUPAC Name	7-methoxy-1-quinolin-4-yl-9H-pyrido[3,4-b]indole
Canonical SMILES	COc1ccc2c(c1)[nH]c1c2ccnc1c1ccnc2c1cccc2
Standard InCHI	InChI=1S/C21H15N3O/c1-25-13-6-7-15-17-9-11-23-20(21(17)24-19(15)12-13)16-8-10-22-18-5-3-2-4-14(16)18/h2-12,24H,1H3
Standard InCHIKey	XXGIAGKWTXSGQY-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 49800816 ChEMBL ID: CHEMBL1957104
Plant-Ingredient Association Reference	PMID: 22342628 Database: NPASS [NPC167860]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Trigonostemon lii	Trigonostemon	Euphorbiaceae

Ingredient ID: NPC141353
Formula: C11H10N2O

Common Name	n.a.
IUPAC Name	2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Canonical SMILES	OC1=NCCc2c1[nH]c1c2cccc1
Standard InCHI	InChI=1S/C11H10N2O/c14-11-10-8(5-6-12-11)7-3-1-2-4-9(7)13-10/h1-4,13H,5-6H2,(H,12,14)
Standard InCHIKey	FZHZQHNKCPJTNQ-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 87371 ZINC ID: ZINC000000054469 ChEMBL ID: CHEMBL444810
Plant-Ingredient Association Reference	PMID: 22342628 Database: NPASS [NPC141353]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Trigonostemon lii	Trigonostemon	Euphorbiaceae

Ingredient ID: NPC127648
Formula: C14H16N2O

Common Name	n.a.
IUPAC Name	[2-[(2-aminophenyl)methylamino]phenyl]methanol
Canonical SMILES	OCc1ccccc1NCc1ccccc1N
Standard InCHI	InChI=1S/C14H16N2O/c15-13-7-3-1-5-11(13)9-16-14-8-4-2-6-12(14)10-17/h1-8,16-17H,9-10,15H2
Standard InCHIKey	KKHCTMYLYGIEKX-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 10977238
Plant-Ingredient Association Reference	Database: UNPD [UNPD7860]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Coptis japonica	Coptis	Ranunculaceae
Trigonostemon lii	Trigonostemon	Euphorbiaceae

Ingredient ID: NPC123976
Formula: C21H15N3O

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1ccc2c(c1)nccc2c1nccc2c1[nH]c1c2cccc1
Standard InCHI	InChI=1S/C21H15N3O/c1-25-13-6-7-15-16(8-10-22-19(15)12-13)20-21-17(9-11-23-20)14-4-2-3-5-18(14)24-21/h2-12,24H,1H3
Standard InCHIKey	LKOLZHSYTUIODN-UHFFFAOYSA-N
Ingredient External Links
Plant-Ingredient Association Reference	PMID: 22342628 Database: NPASS [NPC123976]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Trigonostemon lii	Trigonostemon	Euphorbiaceae

Ingredient ID: NPC122838
Formula: C35H38O17

Common Name	n.a.
IUPAC Name	[(2S,3R,4S,5S,6R)-2-[[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f][2]benzofuran-4-yl]oxy]-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] acetate
Canonical SMILES	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](C)O[C@H]([C@@H]([C@H]2O)OC(=O)C)Oc2c3COC(=O)c3c(c3c2cc(OC)c(c3)OC)c2ccc3c(c2)OCO3)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C35H38O17/c1-13-30(51-34-28(40)27(39)26(38)23(10-36)50-34)29(41)32(49-14(2)37)35(48-13)52-31-17-9-21(44-4)20(43-3)8-16(17)24(25-18(31)11-45-33(25)42)15-5-6-19-22(7-15)47-12-46-19/h5-9,13,23,26-30,32,34-36,38-41H,10-12H2,1-4H3/t13-,23-,26-,27+,28-,29+,30-,32-,34+,35+/m1/s1
Standard InCHIKey	VLDHUFFYSZHMGA-OQHKEKGPSA-N
Ingredient External Links	PubChem CID: 71607539
Plant-Ingredient Association Reference	Database: UNPD [UNPD214834]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Coptis japonica	Coptis	Ranunculaceae
Trigonostemon lii	Trigonostemon	Euphorbiaceae

Ingredient ID: NPC122436
Formula: C14H12N2O2

Common Name	n.a.
IUPAC Name	1-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethanone
Canonical SMILES	COc1ccc2c(c1)[nH]c1c2ccnc1C(=O)C
Standard InCHI	InChI=1S/C14H12N2O2/c1-8(17)13-14-11(5-6-15-13)10-4-3-9(18-2)7-12(10)16-14/h3-7,16H,1-2H3
Standard InCHIKey	SNGVLDNQSXBDPZ-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 188439
Plant-Ingredient Association Reference	PMID: 22342628 Database: NPASS [NPC122436]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Trigonostemon lii	Trigonostemon	Euphorbiaceae

Ingredient ID: NPC114550
Formula: C27H26O11

Common Name	Patentiflorin A
IUPAC Name	9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one
Canonical SMILES	COc1cc2c(O[C@@H]3O[C@H](C)[C@H]([C@@H]([C@H]3O)O)O)c3COC(=O)c3c(c2cc1OC)c1ccc2c(c1)OCO2
Standard InCHI	InChI=1S/C27H26O11/c1-11-22(28)23(29)24(30)27(37-11)38-25-14-8-18(33-3)17(32-2)7-13(14)20(21-15(25)9-34-26(21)31)12-4-5-16-19(6-12)36-10-35-16/h4-8,11,22-24,27-30H,9-10H2,1-3H3/t11-,22-,23+,24-,27+/m1/s1
Standard InCHIKey	NLWUWPJUIJTHAN-ZWQUELFCSA-N
Ingredient External Links	PubChem CID: 11785812 ChEMBL ID: CHEMBL458904
Plant-Ingredient Association Reference	Database: UNPD [UNPD4547] Database: NPASS [NPC114550]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Coptis japonica	Coptis	Ranunculaceae
Trigonostemon lii	Trigonostemon	Euphorbiaceae

Ingredient ID: NPC105400
Formula: C35H38O17

Common Name	n.a.
IUPAC Name	[(2S,3R,4R,5R,6R)-2-[[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f][2]benzofuran-4-yl]oxy]-3-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate
Canonical SMILES	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](C)O[C@H]([C@@H]([C@H]2OC(=O)C)O)Oc2c3COC(=O)c3c(c3c2cc(OC)c(c3)OC)c2ccc3c(c2)OCO3)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C35H38O17/c1-13-30(51-34-28(40)27(39)26(38)23(10-36)50-34)32(49-14(2)37)29(41)35(48-13)52-31-17-9-21(44-4)20(43-3)8-16(17)24(25-18(31)11-45-33(25)42)15-5-6-19-22(7-15)47-12-46-19/h5-9,13,23,26-30,32,34-36,38-41H,10-12H2,1-4H3/t13-,23-,26-,27+,28-,29-,30-,32-,34+,35+/m1/s1
Standard InCHIKey	XWUUYXTZUXKSTF-KXQAPDEZSA-N
Ingredient External Links	PubChem CID: 71497048
Plant-Ingredient Association Reference	Database: UNPD [UNPD212754]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Coptis japonica	Coptis	Ranunculaceae
Trigonostemon lii	Trigonostemon	Euphorbiaceae

Ingredient ID: NPC101350
Formula: C22H17N3O3

Common Name	Trigonostemine B
IUPAC Name	(6-methoxy-1H-indol-3-yl)-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)methanone
Canonical SMILES	COc1ccc2c(c1)[nH]cc2C(=O)c1nccc2c1[nH]c1c2ccc(c1)OC
Standard InCHI	InChI=1S/C22H17N3O3/c1-27-12-4-6-15-17(11-24-18(15)9-12)22(26)21-20-16(7-8-23-21)14-5-3-13(28-2)10-19(14)25-20/h3-11,24-25H,1-2H3
Standard InCHIKey	WPMVYZFRMATFJA-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 57345602 ChEMBL ID: CHEMBL1957109
Plant-Ingredient Association Reference	PMID: 22342628 Database: NPASS [NPC101350]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Trigonostemon lii	Trigonostemon	Euphorbiaceae

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
NPC101350	C22H17N3O3	Trigonostemine B	371.13	-1.2082	3.22	3.676	4	2	80	6	5	28	0
NPC105400	C35H38O17	[(2S,3R,4R,5R,6R)-2-[[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f][2]benzofuran-4-yl]oxy]-3-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate	730.2108998	-3.5608	3.44	0.386	12	5	227.59	10	7	52	1
NPC114550	C27H26O11	Patentiflorin A	526.15	-2.193	3.22	1.612	6	3	142.37	11	6	38	0
NPC122436	C14H12N2O2		240.09	-0.7261	2.56	2.135	3	1	54.98	4	3	18	0
NPC122838	C35H38O17	[(2S,3R,4S,5S,6R)-2-[[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f][2]benzofuran-4-yl]oxy]-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] acetate	730.2108998	-3.5608	3.44	0.386	12	5	227.59	10	7	52	1
NPC123976	C21H15N3O		325.12	-0.4722	3.33	4.397	3	1	50.8	3	5	25	0
NPC127648	C14H16N2O	[2-[(2-aminophenyl)methylamino]phenyl]methanol	228.1262631	-1.6074	2.67	3.232	3	3	58.28	4	2	17	0
NPC141353	C11H10N2O		186.08	-0.459	2.34	2.549	3	2	48.38	1	3	14	0
NPC167860	C21H15N3O	Trigonostemonine C	325.12	-0.4722	3.33	4.397	3	1	50.8	3	5	25	0
NPC169597	C7H9NO	(2-aminophenyl)methanol	123.0684139	-1.1986	2.01	1.386	2	2	46.25	1	1	9	0
NPC193267	C21H15N3O2	Trigonostemine E	341.12	-0.9325	3.22	3.934	3	2	71.03	4	5	26	0
NPC202969	C8H11NO	2-(methoxymethyl)aniline	137.084064	-0.7901	2.12	1.476	2	1	35.25	2	1	10	0
NPC213530	C21H15N3O2		341.12	-0.9325	3.22	3.934	3	2	71.03	4	5	26	0
NPC235685	C21H15N3O2	Trigonostemine A	341.12	-1.1564	3.22	4.331	4	2	70.77	4	5	26	0
NPC260434	C14H12N2O3		256.08	-0.461	2.45	2.191	4	1	64.21	5	3	19	0
NPC285558	C21H17N3O		327.14	-0.5348	3.33	4.075	3	1	50.27	3	5	25	0
NPC471762	C19H15N3O2		317.12	-0.8051	3	3.296	4	1	57.69	2	5	24	0
NPC50686	C15H18N2O	2-[[2-(methoxymethyl)anilino]methyl]aniline	242.1419132	-1.1989	2.78	3.322	3	2	47.28	5	2	18	0
NPC63971	C21H15N3O3	Trigonostemine D	357.11	-1.6167	3.11	4.297	4	3	91	5	5	27	0
NPC66777	C19H15N3O2		317.12	-0.8051	3	3.296	4	1	57.69	2	5	24	0
NPC91868	C21H15N3O3	Trigonostemine C	357.11	-1.6167	3.11	4.297	4	3	91	5	5	27	0

Download Data

All data can be downloaded by:

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