Compound	Melianin B
NPACT-Id	NPACT00763
IUPAC	[(1S,3R,5S,7R,8R,9R,10S,13S,17S)-1,7-diacetyloxy-17-[(5R,6S)-5,6-dihydroxy-7,7-dimethyloxepan-3-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
Synonyms	-
PubChem Id	44566528
Class	Terpenoids
In-vitro anticancer activity	6 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	LCWARTZNQSKAAQ-CRGCUESASA-N
InChi	1S/C41H58O9/c1-23(42)48-33-20-31-37(3,4)32(50-36(46)25-13-11-10-12-14-25)21-34(49-24(2)43)41(31,9)30-17-18-39(7)27(15-16-29(39)40(30,33)8)26-19-28(44)35(45)38(5,6)47-22-26/h10-14,16,26-28,30-35,44-45H,15,17-22H2,1-9H3/t26?,27-,28+,30-,31-,32+,33+,34-,35-,
SMILES	O([C@H]1[C@@]2([C@@H]([C@@]3([C@H](C([C@H](OC(=O)c4ccccc4)C[C@@H]3OC(=O)C)(C)C)C1)C)CC[C@@]1(C2=CC[C@H]1[C@H]1C[C@@H](O)[C@H](O)C(OC1)(C)C)C)C)C(=O)C
SMART	[H]O[C@]1([H])C([H])([H])[C@@]([H])(C([H])([H])O[C@](C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H])[C@]1([H])C([H])([H])C([H])=C2[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]1([H])[C@@]2(C([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])[H])C([H])([H])[C@@]2([H])[C@](C([H])([H])[H])(C([H])([H])[H])[C@]([H])(OC(=O)C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@]12C([H])([H])[H]
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

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