5,10-Dihydroxy-7-methoxy-3-methyl-1H-naphtho(2,3-c)pyran-1,6,9-trione

HCID 136834046

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Basic information

CAS: 119975-65-4
Standard SMILES: COc1cc(O)c2c(c1O)C(=O)c1cc(C)oc(=O)c1C2=O
InChIKey: DYFIQUYQTFESOA-UHFFFAOYSA-N
Molecular formula: C15H10O7
Average molar mass: 302.23 g/mol
Monoisotopic mass: 302.04265265

Overview

5,10-Dihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-1,6,9-trione has been reported in Fusarium haematococcum and Fusarium solani with data available.

Names & identifiers

Preferred name: 5,10-Dihydroxy-7-methoxy-3-methyl-1H-naphtho(2,3-c)pyran-1,6,9-trione
IUPAC: 6,9-dihydroxy-7-methoxy-3-methylbenzo[g]isochromene-1,5,10-trione

Names & synonyms

5,10-Dihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-1,6,9-trione119975-65-46,9-dihydroxy-7-methoxy-3-methylbenzo(g)isochromene-1,5,10-trione6,9-dihydroxy-7-methoxy-3-methylbenzo[g]isochromene-1,5,10-trione5,10-Dihydroxy-7-methoxy-3-methyl-1H-naphtho(2,3-c)pyran-1,6,9-trioneRefChem:100899DTXSID001156523

Database identifiers

CAS: 119975-65-4
PubChem CID: 136834046
DTXSID: DTXSID001156523
Nikkaji: J1.382.095C

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 110 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 1
Heavy atoms: 22
Formal charge: 0
Complexity: 630

Related reactions

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Compound notes

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