Basic information
- Standard SMILES
Oc1ccc(-c2oc3cc(O)cc4c3c2-c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@H]4O)cc1- InChIKey
GCOPXRXOORFRHV-HOFKKMOUSA-N- Molecular formula
- C28H20O7
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.12090298
Overview
malibatol A has been reported in Vitis vinifera and Hopea utilis with data available.
Names & identifiers
- Preferred name
- Malibatol A
- IUPAC
- (8S,9R)-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-1(16),2(7),3,5,10(17),11,13-heptaene-4,6,9,12-tetrol
Names & synonyms
malibatol ARefChem:155405(8S,9R)-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo(8.6.1.02,7.014,17)heptadeca-1(16),2(7),3,5,10(17),11,13-heptaene-4,6,9,12-tetrolCHEMBL476084BDBM50362655
Database identifiers
- ChEMBL
CHEMBL476084
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 733
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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