MetaADEDB 2.0 @ LMMD
abietic acid
(RSWGJHLUYNHPMX-ONCXSQPRSA-N)
Structure
SMILES
CC(C1=CC2=CC[C@@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C
Molecular Formula:
C20H30O2
Molecular Weight:
302.451
Log P:
5.2062
Hydrogen Bond Acceptor:
2
Hydrogen Bond Donor:
1
TPSA:
37.3
CAS Number(s):
514-10-3; 15522-12-0
Synonym(s)
1.
abietic acid
2.
abietic acid, 2-aminoethanol
3.
abietic acid, ammonium salt
4.
abietic acid, barium salt
5.
abietic acid, calcium salt
6.
abietic acid, cobalt salt
7.
abietic acid, copper salt
8.
abietic acid, palladium (+2) salt
9.
abietic acid, potassium salt
10.
abietic acid, sodium salt
11.
abietic acid, strontium salt
12.
abietic acid, zinc salt
13.
sylvic acid
External Link(s)
MeSHC023710
PubChem Compound10569
BindingDB50442901
ChEBI28987
CHEMBLCHEMBL71893
KEGGcpd:C06087
Therapeutic Target DatabaseD0UQ6U
ZINC2267806
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Dermatitis, Allergic Contact26795242CTD
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