Ovatodiolide
(1S,3E,5R,9S,12E)-3,12-dimethyl-8-methylidene-6,18-dioxatricyclo[14.2.1.05,9]nonadeca-3,12,16(19)-triene-7,17-dione
Molecular Identity
Ovatodiolide
(1S,3E,5R,9S,12E)-3,12-dimethyl-8-methylidene-6,18-dioxatricyclo[14.2.1.05,9]nonadeca-3,12,16(19)-triene-7,17-dione
PubChem CID: 38347030
2D Structure
Properties
C20H24O4
Molecular Formula
328.40
Molecular Weight
g/mol
328.1675
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
52.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
665
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CCCC2=CC(CC(=CC3C(CC1)C(=C)C(=O)O3)C)OC2=OIsomeric SMILES
SMILES: C/C/1=C\CCC2=C[C@H](C/C(=C/[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)/C)OC2=OSynonyms(20)
OVATODIOLIDEAr-100dp1AR100DP1AR1003484-37-5AR-100 (OV)NSC-156130NSC-272353DTXSID401317860641ILF0QGZRefChem:44524DTXCID401747657(1R,3E,5S,9R,12E)-3,12-dimethyl-8-methylidene-6,18-dioxatricyclo(14.2.1.05,9)nonadeca-3,12,16(19)-triene-7,17-dione(3E,12E)-3,12-Dimethyl-8-methylene-6,18-dioxa-tricyclo(14.2.1.0.5,9)nonadeca-3,12,16(19)-triene-7,17-dioneorb1702993
Data from PubChem (NCBI)
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