Myriaporone 3
Basic information
- CAS
177481-40-2- Standard SMILES
C/C=C\[C@H](C)[C@H]1O[C@]1(C)[C@@H](O)[C@@H](CO)C(=O)[C@@H]1COC(O)(CC)C[C@@H]1O- InChIKey
VJPJOSSWTOMULO-UGGJLBIYSA-N- Molecular formula
- C19H32O7
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.21480336
Overview
Myriaporone 3 is a member of the class of oxanes isolated from the Mediterranean bryozoan Myriapora truncata and has been shown to exhibit inhibitory activity against murine leukemia cells. It has a role as a metabolite and an antineoplastic agent. It is a primary alcohol, an epoxide, a secondary alcohol, a lactol, a member of oxanes and a beta-hydroxy ketone. It is functionally related to a polyketide.
Names & identifiers
- Preferred name
- Myriaporone 3
- IUPAC
- (2R,3S)-1-[(3R,4S)-6-ethyl-4,6-dihydroxyoxan-3-yl]-3-hydroxy-2-(hydroxymethyl)-3-[(2R,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]propan-1-one
Names & synonyms
Myriaporone 3CHEBI:66422DTXSID401043695177481-40-2RefChem:160370DTXCID701526141(2R,3S)-1-((3R,4S)-6-ethyl-4,6-dihydroxyoxan-3-yl)-3-hydroxy-2-(hydroxymethyl)-3-((2R,3R)-2-methyl-3-((Z,2S)-pent-3-en-2-yl)oxiran-2-yl)propan-1-oneSCHEMBL29378655Q27134979
Database identifiers
- CAS
177481-40-2- PubChem CID
- 71306325
- DTXSID
DTXSID401043695- ChEBI
CHEBI:66422- Nikkaji
- J2.040.223G
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 536
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Related reactions
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Compound notes
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