MetaADEDB 2.0 @ LMMD
xanthohumol
(ORXQGKIUCDPEAJ-YRNVUSSQSA-N)
Structure
SMILES
COc1cc(O)c(c(c1C(=O)/C=C/c1ccc(cc1)O)O)CC=C(C)C
Type(s)
Investigational
Molecular Formula:
C21H22O5
Molecular Weight:
354.396
Log P:
4.2168
Hydrogen Bond Acceptor:
5
Hydrogen Bond Donor:
3
TPSA:
86.99
CAS Number(s):
569-83-5; 6754-58-1
Synonym(s)
1.
xanthohumol
2.
1-(2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl)-3-(4-hydroxyphenyl)-2-propen-1-one
3.
desmethylxanthohumol
External Link(s)
MeSHC104536
PubChem Compound639665
BindingDB50384998
ChEBI94745
66331
CHEMBLCHEMBL253896
DrugBankDB15359
KEGGcpd:C16417
ZINC5158937
Adverse Drug Event(s)
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