Compound	3-beta-Hydroxy-27-p-(E)-coumaroyloxyurs-12-en-28-oic acid
NPACT-Id	NPACT01504
IUPAC	10-hydroxy-6a-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Synonyms	10-hydroxy-6a-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
PubChem Id	6306917
Class	Terpenoids
In-vitro anticancer activity	4 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	RZHJGXXCTIXCRI-NTEUORMPSA-N
InChi	1S/C39H54O6/c1-24-15-20-38(34(43)44)21-22-39(23-45-32(42)14-9-26-7-10-27(40)11-8-26)28(33(38)25(24)2)12-13-30-36(5)18-17-31(41)35(3,4)29(36)16-19-37(30,39)6/h7-12,14,24-25,29-31,33,40-41H,13,15-23H2,1-6H3,(H,43,44)/b14-9+
SMILES	O(CC12C3(C(C4(C(CC3)C(C(O)CC4)(C)C)C)CC=C1C1C(CC2)(CCC(C1C)C)C(=O)O)C)C(=O)/C=C/c1ccc(O)cc1
SMART	[#6]C1CCC2(CCC3(COC(=O)C=CC4=CC=C(O)C=C4)C(=CCC4C5([#6])CCC(O)C([#6])([#6])C5CCC34[#6])C2C1[#6])C(O)=O
CAS No.	-
Structure Download
Suppliers	ABI Chem,
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