Compound	3-beta-trans-(3,4-dihydroxycinnamoyl-oxy)olean-12-en-28-oic acid
NPACT-Id	NPACT00124
IUPAC	(4aS,6aS,6bR,10S,12aR)-10-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Synonyms	-
PubChem Id	9873829
Class	Steroids
In-vitro anticancer activity	4 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	OJEUMHQEAMVIBI-FDQLJXGRSA-N
InChi	1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)25(26(39)23-34)10-12-30-36(5)16-15-31(35(3,4)29(36)14-17-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-11,13,22,26,29-31,40-41H,12,14-21,23H2,1-7H3,(H,43,44)/b13-9+/t26?,29?,30?,31-,36-,37+,38+,39-/
SMILES	O([C@@H]1C([C@H]2[C@@]([C@H]3[C@]([C@]4(C(=CC3)[C@@H]3[C@@](CC4)(CCC(C3)(C)C)C(=O)O)C)(CC2)C)(CC1)C)(C)C)C(=O)/C=C/c1cc(O)c(O)cc1
SMART	O=C(C=CC1=CC(O)=C(O)C=C1)O[C@H]1CC[C@@]2([#6])[C@@H](CC[C@]3([#6])[C@H]2CC=C2[C@H]4C[C@@]([#6])([#6])CC[C@@]4(CC[C@@]32[#6])C(O)=O)[C@]1([#6])[#6]
CAS No.	-
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	NA,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	Yes
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase