3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one

3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one
Compound Structure:
Synonyms: NSC720873;CHEMBL2004107;3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one;NSC-720873;NCI60_041425
Compound ID: NMPC-438
PubChem ID:

404572
Molecular Formula: C17H16O6
Canonical SMILES: COC1=C(C2=C(C=C1O)OCC(C2=O)CC3=CC=C(C=C3)O)O
InChIKey: CGCVUMRAPMFWDT-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

316.30 g/mol

XLogP3-AA

2.8

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

6

Rotatable Bond Count

3

Exact Mass

316.09468823 g/mol

Monoisotopic Mass

316.09468823 g/mol

Topological Polar Surface Area

96.2Ų

Heavy Atom Count

23

Formal Charge

0

Complexity

419

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

                                                         
Source Species: Securidaca longepedunculata
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