alpha-Conidendrin
Basic information
- CAS
26358-20-3- Standard SMILES
COc1cc(C2c3cc(O)c(OC)cc3CC3C(=O)OCC32)ccc1O- InChIKey
CAYMSCGTKZIVTN-UHFFFAOYSA-N- Molecular formula
- C20H20O6
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.12598835
Overview
6-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one has been reported in Taxus wallichiana with data available.
Names & identifiers
- Preferred name
- alpha-Conidendrin
- IUPAC
- 7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one
- English name
- 6-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one
- Molecular weight
- 0
Names & synonyms
85699-62-3alpha-ConidendrinTsugalactone6-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one7-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-oneNSC4587CONIDENDRIN,ALPHA(-)-.alpha.-ConidendrinMLS002637763?-Conidendrinbeta-Coniodendrin|A-Conidendrin
Show more names
Conidendrin,.alpha.| cent-ConidendrinCONIDENDRIN, BETAorb1683198SCHEMBL13505645DTXSID20970059CAYMSCGTKZIVTN-UHFFFAOYSA-NKDA69962
Database identifiers
- CAS
26358-20-3、5474-93-1- PubChem CID
- 220995
- DTXSID
DTXSID20970059- ChEMBL
CHEMBL463246
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 524
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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