MetaADEDB 2.0 @ LMMD
rosin
(KHPCPRHQVVSZAH-GUNCLKARSA-N)
Structure
SMILES
OC[C@H]1O[C@@H](OC/C=C/c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O
Molecular Formula:
C15H20O6
Molecular Weight:
296.316
Log P:
-0.4837
Hydrogen Bond Acceptor:
6
Hydrogen Bond Donor:
4
TPSA:
99.38
CAS Number(s):
69306-80-5; 85026-55-7
Synonym(s)
1.
rosin
2.
colophonium
3.
colophony
4.
pine resin
5.
pine tar resin
6.
pitch tar
External Link(s)
MeSHC013893
PubChem Compound5280656
CHEMBLCHEMBL4175856
ZINC4096342
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Dermatitis, Allergic Contact16823706CTD
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120329

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.