Enterolactone
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Enterolactone
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CAS No:
78473-71-9
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Formula:
C18H18O4
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Chemical Name:
Enterolactone
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Synonyms:
2(3H)-Furanone,dihydro-3,4-bis[(3-hydroxyphenyl)methyl]-,(3R,4R)-rel-;2(3H)-Furanone,dihydro-3,4-bis[(3-hydroxyphenyl)methyl]-,trans-;rel-(3R,4R)-Dihydro-3,4-bis[(3-hydroxyphenyl)methyl]-2(3H)-furanone;Enterolactone;trans-2,3-Bis(3-hydroxybenzyl)-γ-butyrolactone;HPMF;(±)-Rnterolactone;110872-76-9;76721-88-5;82580-69-6
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CAS No:
Characteristics
66.76000
2.29
1.3±0.1 g/cm3
141-143°
561.4±25.0 °C at 760 mmHg
209.0±16.7 °C
1.635
2-8°C
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
Compounds derived from plants, primarily ISOFLAVONES that mimic or modulate endogenous estrogens, usually by binding to ESTROGEN RECEPTORS. (See all compounds classified as Phytoestrogens.)
2,3-BHBB
Enterolactone Use and Manufacturing
A metabolite of sesame lignans (sesamin, sesamolin). Inhibits colonic cancer cell growth by inducing cell cycle arrest and apoptosis. Possible relationship between exposure and reduced risk of breast cancer.
Computed Properties
Molecular Weight:298.3
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:298.12050905
Monoisotopic Mass:298.12050905
Topological Polar Surface Area:66.8
Heavy Atom Count:22
Complexity:383
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes