Basic information
- CAS
69640-78-4- Standard SMILES
COc1cc2c(c3c1C(=O)C[C@@H](c1ccccc1)O3)C=CC(C)(C)O2- InChIKey
ITOTUSMHIQFNHJ-INIZCTEOSA-N- Molecular formula
- C21H20O4
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.13615911
Overview
4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 2,3-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-, (S)- has been reported in Tephrosia candida, Lonchocarpus costaricensis, and other organisms with data available.
Names & identifiers
- Preferred name
- 4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 2,3-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-, (S)-
- IUPAC
- (2S)-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
- English name
- (S)-2,3-Dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
- Molecular formula
- C21H20O4
- Molecular weight
- 336.38
Names & synonyms
Pongachin4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 2,3-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-, (S)-(2S)-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-oneOBOVATIN 5-METHYL ETHERCHEMBL2230140SCHEMBL29561997DTXSID50219908(2S)-5-Methoxy-8,8-dimethyl-2-phenyl-2,3-dihydro-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-oneObovatin methyl ether(S)-2,3-Dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one4H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one, 2,3-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-, (2S)-
Database identifiers
- CAS
69640-78-4- PubChem CID
- 155236
- DTXSID
DTXSID50219908- ChEMBL
CHEMBL2230140- Nikkaji
- J53.121I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 534
Physicochemical properties
- Boiling point
- 518.5 · 518.5±50.0 °C(Predicted)
- Density
- 1.194 · 1.194±0.06 g/cm3(Predicted)
Chemistry & industry
Applications
DescriptionPongachin is a flavonoid.
Suppliers2 total
云南西力生物技术股份有限公司0871-65217109 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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