De-O-methylsterigmatocystin
Basic information
- CAS
30461-65-5- Standard SMILES
O=c1c2c(O)cccc2oc2c3c(cc(O)c12)OC1OC=CC31- InChIKey
RQQOEIJLJPCYJR-UHFFFAOYSA-N- Molecular formula
- C17H10O6
- Average molar mass
- 310.26 g/mol
- Monoisotopic mass
- 310.04773803
Overview
De-O-methylsterigmatocystin is a member of sterigmatocystins.
Names & identifiers
- Preferred name
- De-O-methylsterigmatocystin
- IUPAC
- 11,15-dihydroxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),4,10,14,16,18-heptaen-13-one
Names & synonyms
De-O-methylsterigmatocystinDTXSID60952793CHEBI:1742276,8-Dihydroxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one11,15-dihydroxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),4,10,14,16,18-heptaen-13-one
Database identifiers
- CAS
30461-65-5- PubChem CID
- 5486185
- DTXSID
DTXSID60952793- ChEBI
CHEBI:174227
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 547
Experimental & physicochemical properties
Melting Point253 - 255 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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