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Obolactone

Obolactone structure

CAS No:
712272-88-3
Formula:
C19H18O4
Chemical Name:
Obolactone
Synonyms:
Obolactone;(6R)-6-[[(2R)-3,4-Dihydro-4-oxo-6-[(1E)-2-phenylethenyl]-2H-pyran-2-yl]methyl]-5,6-dihydro-2H-pyran-2-one
Categories:
Natural Products > Phenols

Description

Obolactone is a pyranone isolated from the trunk barks of Cryptocarya obovata and has been shown to exhibit cytotoxicity against the KB cell line. It has a role as an antineoplastic agent and a plant metabolite. It is a member of 2-pyranones and a member of 4-pyranones.

Obolactone Basic Attributes

Molecular Weight：

310.34382

Exact Mass：

310.121

Characteristics

PSA：

52.6

XLogP3：

3.2

Density：

1.270±0.06 g/cm3(Predicted)

Melting Point：

116-118℃

Drug Information

MeSH Entry Terms：

obolactone

Computed Properties

Molecular Weight:310.3
XLogP3:3.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:310.12050905
Monoisotopic Mass:310.12050905
Topological Polar Surface Area:52.6
Heavy Atom Count:23
Complexity:538
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes