Basic information
- CAS
110300-77-1- Standard SMILES
COc1c(C(C)C)cc2c(=O)cc3c(cc2c1OC)C=CC(=O)C3(C)C- InChIKey
LDBQEVDAHSVWKL-UHFFFAOYSA-N- Molecular formula
- C22H24O4
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.16745924
Overview
isolated from bark of Taxus mairei; structure given in first source; MF: C22-H24-O4
Names & identifiers
- Preferred name
- Taxamairin B
- IUPAC
- 14,15-dimethoxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),2,4,8,11,13-hexaene-6,10-dione
- English name
- taxamairin B
- Molecular formula
- C22H24O4
- Molecular weight
- 352.42
Names & synonyms
Taxamairin B110300-77-1Taxamairin-BDTXSID0014920614,15-dimethoxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),2,4,8,11,13-hexaene-6,10-dione14,15-dimethoxy-7,7-dimethyl-13-propan-2-yltricyclo(9.4.0.03,8)pentadeca-1(15),2,4,8,11,13-hexaene-6,10-dioneRefChem:187560DTXCID8071697orb2277510CHEMBL5633259SCHEMBL30627437SCHEMBL30627438
Show more names
1H-Dibenzo[a,d]cycloheptene-2,10-dione, 6,7-dimethoxy-1,1-dimethyl-8-(1-methylethyl)-
HY-N12042DA-58314CS-0890919T799701H-Dibenzo(a,d)cycloheptene-2,10-dione, 6,7-dimethoxy-1,1-dimethyl-8-(1-methylethyl)-6,7-Dimethoxy-1,1-dimethyl-8-(propan-2-yl)-1H-dibenzo[a,d][7]annulene-2,10-dione
Database identifiers
- CAS
110300-77-1- PubChem CID
- 130632
- DTXSID
DTXSID00149206- ChEMBL
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 695
Chemistry & industry
Applications
UsesTaxamairin B is a potent anti-inflammatory agent. Taxamairin B decreases proinflammatory cytokines (TNF-α, IL-1β and IL-6) expression and the production of NO and ROS in LPS-induced RAW264.7 cells. Taxamairin B exhibits significant protective effects in LPS-induced acute lung injury in mice[1][2].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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