Basic information
- CAS
119975-66-5- Standard SMILES
COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C=C(C)OC3O- InChIKey
KBYFQSOWBFNZAW-UHFFFAOYSA-N- Molecular formula
- C15H12O7
- Average molar mass
- 304.25 g/mol
- Monoisotopic mass
- 304.05830272
Overview
Anhydrofusarubin lactol has been reported in Fusarium solani with data available.
Names & identifiers
- Preferred name
- 1,5,10-Trihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-6,9-dione
- IUPAC
- 1,5,10-trihydroxy-7-methoxy-3-methyl-1H-benzo[g]isochromene-6,9-dione
- English name
- anhydrofusarubin lactol
- Molecular formula
- C15H12O7
- Molecular weight
- 304.25
Names & synonyms
NSC626482Neuro_000258CHEMBL1992442DTXSID409231631,5,10-Trihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-6,9-dioneNSC-626482NCI60_0083671H-naphtho[2,3-c]pyran-6,9-dione der.1,10-Trihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-6,9-dioneanhydrofusarubin lactol1H-Naphtho[2,3-c]pyran-6,9-dione, 1,5,10-trihydroxy-7-methoxy-3-methyl- (9CI)
Database identifiers
- CAS
119975-66-5- PubChem CID
- 148043
- DTXSID
DTXSID40923163- ChEMBL
CHEMBL1992442- Nikkaji
- J1.382.094E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 578
Physicochemical properties
- Boiling point
- 630.1 · 630.1±55.0 °C(Predicted)
- Density
- 1.65 · 1.65±0.1 g/cm3(Predicted)
- pka
- 5.94 · 5.94±0.40(Predicted)
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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