Benastatin C
Basic information
- CAS
150151-88-5- Standard SMILES
CCCCCc1cc(O)c2c(ccc3c(O)c4c(cc32)C(C)(C)c2cc(O)cc(O)c2C4=O)c1- InChIKey
QUNHGOCXEGJZAT-UHFFFAOYSA-N- Molecular formula
- C29H28O5
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.19367399
Overview
Benastatin C is a member of tetracenes.
Names & identifiers
- Preferred name
- Benastatin C
- IUPAC
- 1,7,9,11-tetrahydroxy-13,13-dimethyl-3-pentylbenzo[a]tetracen-8-one
- English name
- benastatin C
- Molecular formula
- C29H28O5
- Molecular weight
- 456.53
Names & synonyms
Benastatin C150151-88-51,7,9,11-tetrahydroxy-13,13-dimethyl-3-pentylbenzo[a]tetracen-8-oneDTXSID101644801,7,9,11-tetrahydroxy-13,13-dimethyl-3-pentylbenzo(a)tetracen-8-oneRefChem:116954DTXCID00869718,13-dihydro-1,7,9,11-tetrahydroxy-8-oxo-13,13-dimethyl-3-pentylbenzo(a)naphthacene1,7,9,11-Tetrahydroxy-13,13-dimethyl-3-pentylbenzo[a]tetracen-8(13H)-one13,13-Dimethyl-3-pentyl-1,7,9,11-tetrahydroxybenzo(a)naphthacen-8(13H)-oneorb1694149SCHEMBL28222573
Show more names
Benzo[a]naphthacen-8(13H)-one, 1,7,9,11-tetrahydroxy-13,13-dimethyl-3-pentyl-
SCHEMBL29711489CHEBI:215679LMPK13050008MFCD00926105AKOS022185144BS-1581Benzo(a)naphthacen-8(13H)-one, 1,7,9,11-tetrahydroxy-13,13-dimethyl-3-pentyl-Benzo(a)naphthacen-8(13H)-one, 13,13-dimethyl-3-pentyl-1,7,9,11-tetrahydroxy-
Database identifiers
- CAS
150151-88-5- PubChem CID
- 197348
- DTXSID
DTXSID10164480- ChEBI
CHEBI:215679- Nikkaji
- J549.738H
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 751
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Aromatic polyketides [PK13] -> Anthracyclinones [PK1305]
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- form
- A powder
Chemistry & industry
Applications
UsesBenastatin C is a related compound of Benastatin A (B119650). Benastatin A is a potent glutathione-S-transferase inhibitor and apoptosis inducer.
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Related reactions
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Compound notes
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