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Rhusflavanone

CAT: 0926-DCA06072-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-DCA06072-01Size:1 mg
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CAS Number
53060-72-3
MDL Number
MFCD24849366
Smiles
C1C (OC2=C (C1=O) C (=C (C (=C2) O) C3=C4C (=C (C=C3O) O) C (=O) CC (O4) C5=CC=C (C=C5) O) O) C6=CC=C (C=C6) O
Molecular Formula
C30H22O10
Molecular Weight
542.5 g/mol
Controlled
No

Chemical Information

Rhusflavone

Rhusflavone has been reported in Toxicodendron succedaneum, Garcinia lateriflora, and other organisms with data available.

CAS Number53060-72-3
PubChem CID12114300
IUPAC Name(2S)-6-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Molecular FormulaC30H22O10
Molecular Weight542.5
XLogP4.5
Topological Polar Surface Area174
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count40
Formal Charge0
Complexity927
SMILES
C1[C@H](OC2=C(C1=O)C(=C(C(=C2)O)C3=C4C(=C(C=C3O)O)C(=O)C[C@H](O4)C5=CC=C(C=C5)O)O)C6=CC=C(C=C6)O
InChI
InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)22-11-20(36)26-24(39-22)12-21(37)27(29(26)38)28-18(34)9-17(33)25-19(35)10-23(40-30(25)28)14-3-7-16(32)8-4-14/h1-9,12,22-23,31-34,37-38H,10-11H2/t22-,23-/m0/s1
InChIKey
YBDIZQWDBBOOFB-GOTSBHOMSA-N
Chemical Structure
2D Structure
2D structure of Rhusflavone
CAS: 53060-72-3
CID: 12114300
Formula: C30H22O10
MW: 542.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight542.5
XLogP34.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass542.12129689
Monoisotopic Mass542.12129689
Topological Polar Surface Area174 Ų
Heavy Atom Count40
Formal Charge0
Complexity927
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

Alternative Products

CatalogName
GTR19277782-01Rhusflavanone

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