MetaADEDB 2.0 @ LMMD
breviscapine
(DJSISFGPUUYILV-ZFORQUDYSA-N)
Structure
SMILES
OC(=O)[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
Molecular Formula:
C21H18O12
Molecular Weight:
462.360
Log P:
-0.1522
Hydrogen Bond Acceptor:
12
Hydrogen Bond Donor:
7
TPSA:
207.35
CAS Number(s):
27740-01-8; 116122-36-2
Synonym(s)
1.
breviscapine
2.
dengzhanhua
3.
new-breviscapine
External Link(s)
MeSHC061097
PubChem Compound185617
BindingDB50242284
ChEBI61278
CHEMBLCHEMBL487805
ZINC21992916
Adverse Drug Event(s)
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