3-Methoxytropolone
Basic information
- CAS
65425-62-9- Standard SMILES
COc1cccc(O)c(=O)c1- InChIKey
LCPIUODQEAEATK-UHFFFAOYSA-N- Molecular formula
- C8H8O3
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.04734411
Overview
from Streptoverticillium; selective inhibitor of 12-lipoxygenase; structure given in first source
Names & identifiers
- Preferred name
- 3-Methoxytropolone
- IUPAC
- 2-hydroxy-6-methoxycyclohepta-2,4,6-trien-1-one
- English name
- 3-methoxytropolone
- Molecular formula
- C8H8O3
- Molecular weight
- 152.15
Names & synonyms
65425-62-9DTXSID50215743MY-3-469RefChem:94670DTXCID801382343-Methoxytropolone2-hydroxy-6-methoxycyclohepta-2,4,6-trien-1-one2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-3-METHOXY-Antibiotic XK-100XK-100BRN 3242903MY 3-469
Show more names
MY3-469Antibiotic MY3-469
2-hydroxy-4-methoxycyclohepta-2,4,6-trien-1-oneSCHEMBL11441886LCPIUODQEAEATK-UHFFFAOYSA-NMY 34692-hydroxy-4-methoxy-2,4,6-cycloheptatrien-1-one4-08-00-01741 (Beilstein Handbook Reference)2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-methoxy-
Database identifiers
- CAS
65425-62-9- PubChem CID
- 47625
- DTXSID
DTXSID50215743- Nikkaji
- J1.421.715K
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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