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2,3-Dihydropodocarpusflavone A

CAT: 0013-GTR19182698Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19182698Size:5 mg
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Description
2,3-Dihydropodocarpusflavone A (CAS 852875-96-8) is a natural biflavonoid used as a research biochemical. It serves as a reference standard and has been investigated in vitro for its potential biological activities, including studies on antioxidant and enzyme inhibitory effects.
CAS Number
852875-96-8
Smiles
COc1ccc (cc1) -c1cc (=O) c2c (O) cc (O) c (-c3cc (ccc3O) [C@@H]3CC (=O) c4c (O) cc (O) cc4O3) c2o1
Molecular Formula
C31H22O10
Molecular Weight
554.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,3-Dihydropodocarpusflavone A

2,3-Dihydropodocarpusflavone A has been reported in Cycas beddomei with data available.

CAS Number852875-96-8
PubChem CID12132892
IUPAC Name8-[5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
Molecular FormulaC31H22O10
Molecular Weight554.5
XLogP5.1
Topological Polar Surface Area163
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count41
Formal Charge0
Complexity1010
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)[C@@H]5CC(=O)C6=C(C=C(C=C6O5)O)O)O
InChI
InChI=1S/C31H22O10/c1-39-17-5-2-14(3-6-17)25-13-24(38)30-22(36)11-21(35)28(31(30)41-25)18-8-15(4-7-19(18)33)26-12-23(37)29-20(34)9-16(32)10-27(29)40-26/h2-11,13,26,32-36H,12H2,1H3/t26-/m0/s1
InChIKey
LNCNPVIQJBSDBZ-SANMLTNESA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dihydropodocarpusflavone A
CAS: 852875-96-8
CID: 12132892
Formula: C31H22O10
MW: 554.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight554.5
XLogP35.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass554.12129689
Monoisotopic Mass554.12129689
Topological Polar Surface Area163 Ų
Heavy Atom Count41
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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