Cyclokievitone

CAT: 0926-ZCA17582-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-ZCA17582-04Size:50 mg

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CAS Number

74175-82-9

MDL Number

MFCD11111280

Smiles

C1CCC (CC1) N2C=CNC2=O

Molecular Formula

C20H18O6

Molecular Weight

354.40 g/mol

Controlled

Chemical Information

3-(2,4-Dihydroxyphenyl)-2,3-dihydro-5-hydroxy-8,8-dimethyl-4H,8H-benzo(1,2-b:3,4-b')dipyran-4-one

Cyclokievitone is a member of isoflavanones.

CAS Number	74175-82-9
PubChem CID	156777
IUPAC Name	3-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
Molecular Formula	C20H18O6
Molecular Weight	354.4
XLogP	3.5
Topological Polar Surface Area	96.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	26
Formal Charge	0
Complexity	587

SMILES

CC1(C=CC2=C(O1)C=C(C3=C2OCC(C3=O)C4=C(C=C(C=C4)O)O)O)C

InChI

InChI=1S/C20H18O6/c1-20(2)6-5-12-16(26-20)8-15(23)17-18(24)13(9-25-19(12)17)11-4-3-10(21)7-14(11)22/h3-8,13,21-23H,9H2,1-2H3

InChIKey

AWLFGFDTGPLHKG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 74175-82-9

CID: 156777

Formula: C20H18O6

MW: 354.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	354.4
XLogP3	3.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	354.11033829
Monoisotopic Mass	354.11033829
Topological Polar Surface Area	96.2 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	587
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TBZ2601	Cyclokievitone