TTD Drug ID: DNC008942

Drug Information
Name	rotungenic acid
Indication	Not Available			Experimental
Structure	Click to save drug structure in 3D MOL format Click to save drug structure in 2D MOL format
InChI	1S/C30H48O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35 )7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,18, 20-23,31-32,35H,8-17H2,1-6H3,(H,33,34)/t18-,20-,21-,22+,23-,25+,2 6-,27-,28-,29-,30+/m1/s1
InChIKey	YLHQFGOOMKJFLP-VNUPIYKRSA-N
Canonical SMILES	CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1(C)O)C)C(=O)O
Isomeric SMILES	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@] 5(C)CO)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O
Target	Protein-tyrosine phosphatase 1B			Inhibitor	[1]
Ref 1	J Nat Prod. 2008 Oct;71(10):1775-8. Epub 2008 Sep 18.Triterpenoids from the leaves of Diospyros kaki (persimmon) and their inhibitory effects on protein tyrosine phosphatase 1B. To Reference

Welcome to sign our Guestbook.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhu.

Dr. Chen Yuzong
Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore

All rights reserved.