Basic information
- CAS
143168-23-4- Standard SMILES
COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@@H](C)N[C@@H]4C)cc(-c3cc(-c4c(O)cc(O)c5c4C[C@@H](C)N[C@@H]5C)c4cc(C)cc(OC)c4c3O)c(O)c12- InChIKey
GMLBVLXDRNJFGR-MOUTVQLLSA-N- Molecular formula
- C46H48N2O8
- Average molar mass
- 756.9 g/mol
- Monoisotopic mass
- 756.34106649
Overview
michellamine A has been reported in Ancistrocladus abbreviatus with data available.
Names & identifiers
- Preferred name
- (-)-Michellamine A
- IUPAC
- (1R,3R)-5-[3-[4-[(1R,3R)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
Names & synonyms
Michellamine A(1R,3R)-5-[3-[4-[(1R,3R)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol(-)-Michellamine ACHEBI:66385(1R,3R)-5-(3-(4-((1R,3R)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl)-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diolRefChem:905566137793-81-8Michellamine C143168-23-4Michellamine5,5-(1,1'-Dihydroxy-8-8'-dimethoxy-6,6'-dimethyl(2,2'-binaphthalene-4,4'-diyl)bis(1,2,3,4-tetrahydro-1,3-dimethyl-6,8-isoquinolinediol), (1R,3R,5R,1'R,3'R,5'R)NSC650898
Show more names
(1R,3R)-5-[3-[4-[(1R,3R)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1-hydroxy-8-methoxy-6-methyl-2-naphthyl]-4-hydroxy-5-methoxy-7-methyl-1-naphthyl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol5,5-(1,1'-Dihydroxy-8-8'-dimethoxy-6,6'-dimethyl[2,2'-binaphthalene-4,4'-diyl)bis[1,2,3,4-tetrahydro-1,3-dimethyl-6,8-isoquinolinediol], (1R,3R,5R,1'R,3'R,5'R)CHEMBL295292SCHEMBL2041331SCHEMBL31084769DTXSID50162329BDBM50058296Q6836897
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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