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Glepidotin B

CAT: 0926-MDA44056-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-MDA44056-04Size:50 mg
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CAS Number
87440-56-0
MDL Number
MFCD26406080
Smiles
CC (=CCC1=C2C (=C (C=C1O) O) C (=O) C (C (O2) C3=CC=CC=C3) O) C
Molecular Formula
C20H20O5
Molecular Weight
340.4 g/mol
Controlled
No

Chemical Information

(2R,3R)-2,3-Dihydro-3,5,7-trihydroxy-8-(3-methyl-2-buten-1-yl)-2-phenyl-4H-1-benzopyran-4-one

Glepidotin B is a trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 3, 5 and 7 and a prenyl group at position 8 respectively. It has a role as a plant metabolite. It is a secondary alpha-hydroxy ketone, a trihydroxyflavanone and a member of dihydroflavonols. It is functionally related to a (2S)-flavanone.

CAS Number87440-56-0
PubChem CID442411
IUPAC Name(2R,3R)-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
Molecular FormulaC20H20O5
Molecular Weight340.4
XLogP4.1
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity506
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)[C@@H]([C@H](O2)C3=CC=CC=C3)O)C
InChI
InChI=1S/C20H20O5/c1-11(2)8-9-13-14(21)10-15(22)16-17(23)18(24)19(25-20(13)16)12-6-4-3-5-7-12/h3-8,10,18-19,21-22,24H,9H2,1-2H3/t18-,19+/m0/s1
InChIKey
ATJOIGKHVRPLSM-RBUKOAKNSA-N
Chemical Structure
2D Structure
2D structure of (2R,3R)-2,3-Dihydro-3,5,7-trihydroxy-8-(3-methyl-2-buten-1-yl)-2-phenyl-4H-1-benzopyran-4-one
CAS: 87440-56-0
CID: 442411
Formula: C20H20O5
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass340.13107373
Monoisotopic Mass340.13107373
Topological Polar Surface Area87 Ų
Heavy Atom Count25
Formal Charge0
Complexity506
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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