SP-8356
(1S,5R)-4-[(E)-2-(3,4-dihydroxy-5-methoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-one
Molecular Identity
SP-8356
(1S,5R)-4-[(E)-2-(3,4-dihydroxy-5-methoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-one
PubChem CID: 72191360
2D Structure
Properties
C18H20O4
Molecular Formula
300.30
Molecular Weight
g/mol
300.1362
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
66.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
519
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C2CC1C(=O)C=C2C=CC3=CC(=C(C(=C3)OC)O)O)CIsomeric SMILES
SMILES: CC1([C@H]2C[C@@H]1C(=O)C=C2/C=C/C3=CC(=C(C(=C3)OC)O)O)CSynonyms(19)
SP-83561454885-45-0MT7GG73BQTRefChem:931999(1S,5R)-4-[(1E)-2-(3,4-Dihydroxy-5-methoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-one(1S,5R)-4-[(E)-2-(3,4-Dihydroxy-5-methoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-oneorb1309069CHEMBL2426707SCHEMBL16612827SCHEMBL30284632AKOS040738897DA-58028SP-8356?TS-07899HY-130234
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to SP-8356
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