Comaparvin
Basic information
- CAS
34434-17-8- Standard SMILES
CCCc1cc(O)c2c(O)cc3cc(=O)cc(OC)c3c2o1- InChIKey
POMCQPYWKLKBSX-UHFFFAOYSA-N- Molecular formula
- C17H16O5
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.09977361
Overview
Comaparvin has been reported in Comanthus with data available.
Names & identifiers
- Preferred name
- Comaparvin
- IUPAC
- 4,5-dihydroxy-10-methoxy-2-propylbenzo[h]chromen-8-one
- English name
- 5,8-Dihydroxy-10-methoxy-2-propyl-4H-naphtho[1,2-b]pyran-4-one
- Molecular weight
- 0
Names & synonyms
comaparvinCHEMBL40053834434-17-85,8-Dihydroxy-10-methoxy-2-propyl-4H-naphtho[1,2-b]pyran-4-oneNSC288039COMAPARVIN (AN)SCHEMBL15060665DTXSID80418523BDBM50221718NSC-2880394,5-dihydroxy-10-methoxy-2-propylbenzo[h]chromen-8-one5,8-dihydroxy-10-methoxy-2-propylbenzo(h)chromen-4-one
Show more names
5,8-dihydroxy-10-methoxy-2-propyl-benzo[h]chromen-4-one
Database identifiers
- CAS
34434-17-8- PubChem CID
- 324099
- DTXSID
DTXSID80418523- ChEMBL
CHEMBL400538- Nikkaji
- J17.155G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 741
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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