Dehydrofarinosin
Basic information
- CAS
15569-50-3- Standard SMILES
C=C1C(=O)OC2CC3(C)C=CC(=O)C(=C)C3CC12- InChIKey
LXMUZMFQJGRVFW-UHFFFAOYSA-N- Molecular formula
- C15H16O3
- Average molar mass
- 244.28 g/mol
- Monoisotopic mass
- 244.10994437
Overview
Dehydrofarinosin has been reported in Encelia virginensis and Encelia farinosa with data available.
Names & identifiers
- Preferred name
- Dehydrofarinosin
- IUPAC
- 8a-methyl-3,5-dimethylidene-4,4a,9,9a-tetrahydro-3aH-benzo[f][1]benzofuran-2,6-dione
Names & synonyms
DehydrofarinosinNSC311053Dehydro-FarinosinCHEMBL2000615DTXSID90935271NSC-311053NCI60_002684DS-000051Eudesma-1,11(13)-trien-12-oic acid, 8.beta.-hydroxy-3-oxo-, .gamma.-lactone8a-Methyl-3,5-dimethylidene-3a,4a,5,8a,9,9a-hexahydronaphtho[2,3-b]furan-2,6(3H,4H)-dioneNaphtho[2,3-b]furan-2,6(3h,4h)-dione,3a,4a,5,8a,9,9a-hexahydro-8a-methyl-3,5-bis(methylene)-, (3ar,4ar,8as,9ar)-Naphtho[2,6(3H,4H)-dione, 3a,4a,5,8a,9,9a-hexahydro-8a-methyl-3,5-bis(methylene)-, [3aR-(3a.alpha.,4a.alpha.,8a.beta.,9a.alpha.)]-
Database identifiers
- CAS
15569-50-3- PubChem CID
- 329302
- DTXSID
DTXSID90935271- ChEMBL
CHEMBL2000615- Nikkaji
- J819.063A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 514
Experimental & physicochemical properties
Melting Point195 - 196 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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