Melanervine
Basic information
- CAS
60715-58-4- Standard SMILES
COc1cc(O)c(C(c2ccccc2)c2c(O)c(C)c(O)c3c2OC(c2ccccc2)CC3=O)c(O)c1C- InChIKey
KYRONYOKKZDLAV-UHFFFAOYSA-N- Molecular formula
- C31H28O7
- Average molar mass
- 512.5 g/mol
- Monoisotopic mass
- 512.18350323
Overview
Melanervine has been reported in Melaleuca quinquenervia with data available.
Names & identifiers
- Preferred name
- Melanervine
- IUPAC
- 8-[(2,6-dihydroxy-4-methoxy-3-methylphenyl)-phenylmethyl]-5,7-dihydroxy-6-methyl-2-phenyl-2,3-dihydrochromen-4-one
- English name
- 8-[(2,6-Dihydroxy-4-methoxy-3-methylphenyl)phenylmethyl]-2,3-dihydro-5,7-dihydroxy-6-methyl-2-phenyl-4H-1-benzopyran-4-one
- Molecular formula
- C31H28O7
- Molecular weight
- 512.55
Names & synonyms
60715-58-4MELANERVINENSC292209DTXSID10315132NSC-2922098-[(2,6-Dihydroxy-4-methoxy-3-methylphenyl)(phenyl)methyl]-5,7-dihydroxy-6-methyl-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-oneMelanervin8-[(2,6-Dihydroxy-4-methoxy-3-methylphenyl)phenylmethyl]-2,3-dihydro-5,7-dihydroxy-6-methyl-2-phenyl-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 8-[(2,6-dihydroxy-4-methoxy-3-methylphenyl)phenylmethyl]-2,3-dihydro-5,7-dihydroxy-6-methyl-2-phenyl- (9CI)
Database identifiers
- CAS
60715-58-4- PubChem CID
- 324970
- DTXSID
DTXSID10315132- Nikkaji
- J18.315F
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 793
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Related reactions
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Compound notes
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