Basic information
- CAS
119309-36-3- Standard SMILES
COc1cc(O)cc2c1C(=O)[C@H](O)[C@@H](c1ccccc1)O2- InChIKey
NIMIDMFTGGTHOH-JKSUJKDBSA-N- Molecular formula
- C16H14O5
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.08412354
Overview
4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-5-methoxy-2-phenyl-, (2R,3R)- has been reported in Dalbergia parviflora with data available.
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-5-methoxy-2-phenyl-, (2R,3R)-
- IUPAC
- (2R,3R)-3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one
- English name
- PINOBANKSIN-5-METHYLETHER
- Molecular formula
- C16H14O5
- Molecular weight
- 286.28
Names & synonyms
87620-04-04H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-5-methoxy-2-phenyl-, (2R,3R)-(2R,3R)-3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-oneRefChem:1071822Pinobanksin 5-methyl ether119309-36-3(2R,3R)-3,7-Dihydroxy-5-methoxy-2-phenylchroman-4-onePinobanksin-5-methylether(2R,3R)-3,7-dihydroxy-5-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-onepinobanksin-5-methyl etherorb1681892CHEMBL1096213
Show more names
DTXSID40922934HY-N9203TN4790AKOS030552798DA-76896(2R,3R)-3,7-dihydroxy-5-methoxyflavanoneCS-0158964F94019
Database identifiers
- CAS
119309-36-3、87620-04-0- PubChem CID
- 147459
- DTXSID
DTXSID40922934- ChEMBL
CHEMBL1096213
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Melting point
- 248 °C · 248 °C
- Boiling point
- 549.8 · 549.8±50.0 °C(Predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Predicted)
- pka
- 7.24 · 7.24±0.60(Predicted)
- form
- Solid
- color
- White to off-white
Chemistry & industry
Applications
UsesPinobanksin 5-methyl ether can be isolated from Georgian Propolises. Pinobanksin 5-methyl ether has anti-helicobacter activity. Pinobanksin 5-methyl ether is effective inducer of CYP9Q enzyme[1].
Suppliers15 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
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TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
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四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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