MetaADEDB 2.0 @ LMMD
calanolide A
(NIDRYBLTWYFCFV-FMTVUPSXSA-N)
Structure
SMILES
CCCc1cc(=O)oc2c1c1OC(C)(C)C=Cc1c1c2[C@@H](O)[C@@H]([C@H](O1)C)C
Type(s)
Investigational
Molecular Formula:
C22H26O5
Molecular Weight:
370.439
Log P:
4.3801
Hydrogen Bond Acceptor:
5
Hydrogen Bond Donor:
1
TPSA:
68.9
CAS Number(s):
142632-32-4
Synonym(s)
1.
calanolide A
2.
NSC 661122
3.
calanolide F
4.
costatolide
External Link(s)
MeSHC075959
PubChem Compound64972
BindingDB50002662
ChEBI65552
CHEMBLCHEMBL267447
DrugBankDB04886
KEGGcpd:C09147
ZINC1645454
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1HIV Infections26995226CTD
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