MetaADEDB 2.0 @ LMMD
cucurbitacin I
(NISPVUDLMHQFRQ-MKIKIEMVSA-N)
Structure
SMILES
OC1=C[C@@H]2C(=CC[C@@H]3[C@@]2(C)C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C(=O)/C=C/C(O)(C)C)(O)C)O)C)C(C1=O)(C)C
Molecular Formula:
C30H42O7
Molecular Weight:
514.650
Log P:
3.6194
Hydrogen Bond Acceptor:
7
Hydrogen Bond Donor:
4
TPSA:
132.13
CAS Number(s):
2222-07-3
Synonym(s)
1.
cucurbitacin I
2.
JSI 124
3.
JSI124
4.
elatericin B
External Link(s)
MeSHC038106
PubChem Compound5281321
ChEBI3947
CHEMBLCHEMBL387737
KEGGcpd:C08800
ZINC4097803
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Neoplasms23194827CTD
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120341

Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.