9-acetyl-7-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Basic information
- CAS
94730-45-7- Standard SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N(C)C)C(O)C(C)O1- InChIKey
MNZPHZWBCGOICS-UHFFFAOYSA-N- Molecular formula
- C29H33NO10
- Average molar mass
- 555.6 g/mol
- Monoisotopic mass
- 555.21044625
Names & identifiers
- Preferred name
- 9-acetyl-7-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
- IUPAC
- 9-acetyl-7-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Names & synonyms
94730-45-7MLS002702948Neuro_000122CHEMBL1719004DTXSID009153429-acetyl-7-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dionePD027647SMR0015667623-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dimethylamino)hexopyranoside
Database identifiers
- CAS
94730-45-7- PubChem CID
- 429575
- DTXSID
DTXSID00915342- ChEMBL
CHEMBL1719004
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,010
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Compound notes
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