1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro(1,2-b)furan-10,11-dione
Basic information
- CAS
17545-07-2- Standard SMILES
CC1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C- InChIKey
GVKKJJOMQCNPGB-UHFFFAOYSA-N- Molecular formula
- C19H20O3
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.1412445
Overview
cryptotanshinone has been reported in Salvia miltiorrhiza, Salvia prionitis, and other organisms with data available.
Names & identifiers
- Preferred name
- 1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro(1,2-b)furan-10,11-dione
- IUPAC
- 1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione
- English name
- (-)-1,2,6,7,8,9,10,11-Octahydro-1,6,6-trimethylphenanthro[1,2-b]furan-10,11-dione
- Molecular weight
- 0
Names & synonyms
17545-07-21,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11-dioneDTXSID0013471661,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro(1,2-b)furan-10,11-dioneRefChem:1053481DTXCID2017758841,6,6-trimethyl-1H,2H,6H,7H,8H,9H,10H,11H-phenanthro[1,2-b]furan-10,11-dioneCryptanshinone1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione(-)-CryptotanshinoneCryototanshinone1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g]benzofuran-10,11-dione
Show more names
1,2,6,7,8,9-Hexahydro-1,6,6-trimethylphenanthro[1,2-b]furan-10,11-dione
Cryptotanshinon;Tanshinone cNSC686518(+/-)-cryptotanshinoneUPCMLD-DP042Neuro_000424(-)-1,2,6,7,8,9,10,11-Octahydro-1,6,6-trimethylphenanthro[1,2-b]furan-10,11-dioneMLS006011840SCHEMBL4126834
Database identifiers
- CAS
17545-07-2、35825-57-1- PubChem CID
- 496348
- DTXSID
DTXSID001347166- ChEMBL
CHEMBL1518673- Nikkaji
- J16.972B
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 571
Experimental & physicochemical properties
Melting Point182 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…