Basic information
- CAS
191539-54-5- Standard SMILES
COc1cc(O)c(-c2cc(-c3cc(-c4c(O)cc(O)c5c4C[C@@H](C)N[C@@H]5C)c4cc(C)cc(OC)c4c3O)c(O)c3c(OC)cc(C)cc23)c2c1C(C)=N[C@H](C)C2- InChIKey
VSDWMCJBOALEDE-WXFUMESZSA-N- Molecular formula
- C47H48N2O8
- Average molar mass
- 768.9 g/mol
- Monoisotopic mass
- 768.34106649
Overview
Michellamine F has been reported in Ancistrocladus korupensis with data available.
Names & identifiers
- Preferred name
- Michellamine F
- IUPAC
- (1R,3R)-5-[4-hydroxy-3-[1-hydroxy-4-[(3R)-6-hydroxy-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-5-yl]-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
Names & synonyms
Michellamine F(1R,3R)-5-[4-hydroxy-3-[1-hydroxy-4-[(3R)-6-hydroxy-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-5-yl]-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol(1R,3R)-5-(4-hydroxy-3-(1-hydroxy-4-((3R)-6-hydroxy-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-5-yl)-8-methoxy-6-methylnaphthalen-2-yl)-5-methoxy-7-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diolRefChem:925846191539-54-55,5'-(1,1'-Dihydroxy-8-8'-dimethoxy-6,6'-dimethyl(2,2'-binaphthalene)-4,4'-diyl)(3,4-dihydro-8-methoxy-1,3-dimethyl-6-isoquinolinol),(1,2,3,4-tetrahydro-1,3-dimethyl-6,8-isoquinolinediol),(3R,5R,1'R,3'R,5'S)5,5'-(1,1'-Dihydroxy-8-8'-dimethoxy-6,6'-dimethyl[2,2'-binaphthalene]-4,4'-diyl)[3,4-dihydro-8-methoxy-1,3-dimethyl-6-isoquinolinol],[1,2,3,4-tetrahydro-1,3-dimethyl-6,8-isoquinolinediol],(3R,5R,1'R,3'R,5'S)CHEMBL501944SCHEMBL29456988NSC692906NSC-692906(1R,3R)-5-[4-hydroxy-3-[1-hydroxy-4-[(3R)-6-hydroxy-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-5-yl]-8-methoxy-6-methyl-2-naphthyl]-5-methoxy-7-methyl-1-naphthyl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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