Kanzonol X

HCID 10046166

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Basic information

CAS: 182745-37-5
Standard SMILES: CC(C)=CCc1c(O)ccc([C@@H]2COc3c(ccc(O)c3CC=C(C)C)C2)c1O
InChIKey: KZTSESJJLOEXBX-SFHVURJKSA-N
Molecular formula: C25H30O4
Average molar mass: 394.5 g/mol
Monoisotopic mass: 394.21440943

Overview

Kanzonol X has been reported in Maackia tenuifolia, Glycyrrhiza glabra, and Glycyrrhiza inflata with data available.

Names & identifiers

Preferred name: Kanzonol X
IUPAC: 4-[(3R)-7-hydroxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol

Names & synonyms

Kanzonol X182745-37-54-((3R)-7-hydroxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol4-[(3R)-7-hydroxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diolRefChem:150938CHEMBL606241SCHEMBL4450684DTXSID4013185634-[(3R)-7-hydroxy-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol

Database identifiers

CAS: 182745-37-5
PubChem CID: 10046166
DTXSID: DTXSID401318563
ChEMBL: CHEMBL606241
Nikkaji: J789.612C

Properties

Computed structural properties

XLogP: 6.5
Topological polar surface area: 69.9 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 29
Formal charge: 0
Complexity: 590

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