Basic information
- CAS
185213-74-5- Standard SMILES
C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@@]12C=CC(=O)CC2- InChIKey
ZERRJERBGYWIKI-YRGRVCCFSA-N- Molecular formula
- C14H19BrO2
- Average molar mass
- 299.2 g/mol
- Monoisotopic mass
- 298.05684
Overview
Ma'ilione is a sesquiterpenoid isolated from the marine red algae, Laurencia scoparia. It has a role as a marine metabolite and an algal metabolite. It is a sesquiterpenoid, a spiro compound, a secondary alcohol, an organobromine compound and an olefinic compound.
Names & identifiers
- Preferred name
- Ma'ilione
- IUPAC
- (3R,4S,6S)-4-bromo-3-hydroxy-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-9-one
Names & synonyms
Ma'ilioneMailione185213-74-5(6S,8S,9R)-8-BROMO-9-HYDROXY-7,7-DIMETHYL-11-METHYLIDENESPIRO[5.5]UNDEC-1-EN-3-ONE8-bromo-9-hydroxy-7,7-dimethyl-11-methylenespiro(5.5)undec-1-en-3-one8-bromo-9-hydroxy-7,7-dimethyl-11-methylenespiro[5.5]undec-1-en-3-oneCHEMBL445274DTXSID60327927CHEBI:147400NSC703203NSC-703203NCI60_036905
Show more names
10-bromo-9-hydroxy-15-nor-1,7(14)-chamigradien-3-one(3R,4S,6S)-4-bromo-3-hydroxy-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-9-oneSpiro[5.5]undec-1-en-3-one,7-dimethyl-11-methylene-,(8R,9S)-rel-[partial]-
Database identifiers
- CAS
185213-74-5- PubChem CID
- 396685
- DTXSID
DTXSID60327927- ChEMBL
CHEMBL445274- ChEBI
CHEBI:147400- Nikkaji
- J980.398J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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