MetaADEDB 2.0 @ LMMD
aurapten
(RSDDHGSKLOSQFK-RVDMUPIBSA-N)
Structure
SMILES
C/C(=C\COc1ccc2c(c1)oc(=O)cc2)/CCC=C(C)C
Molecular Formula:
C19H22O3
Molecular Weight:
298.376
Log P:
4.8645
Hydrogen Bond Acceptor:
3
Hydrogen Bond Donor:
0
TPSA:
39.44
CAS Number(s):
495-02-3; 29527-66-0
Synonym(s)
1.
aurapten
2.
7-(geranyloxy)coumarin
3.
7-geranyloxycoumarin
4.
auraptene
External Link(s)
MeSHC105832
PubChem Compound1550607
BindingDB50361373
ChEBI134355
93486
CHEMBLCHEMBL307341
ZINC1658901
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Neoplasms, Experimental23320178CTD
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