Triptoquinone A
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Triptoquinone A
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CAS No:
142950-86-5
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Formula:
C20H24O4
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Chemical Name:
Triptoquinone A
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Synonyms:
2-Phenanthrenecarboxylic acid,3,4,4a,5,8,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-5,8-dioxo-,(4aS,10aS)-;2-Phenanthrenecarboxylic acid,3,4,4a,5,8,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-5,8-dioxo-,(4aS-trans)-;(4aS,10aS)-3,4,4a,5,8,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-5,8-dioxo-2-phenanthrenecarboxylic acid;Triptoquinonoic acid A;Triptoquinone A;(+)-Triptoquinone A
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CAS No:
Description
ChEBI: A tricyclic diterpenoid with formula C20H24O4, originally isolated from Tripterygium wilfordii.
Triptoquinone A is a tricyclic diterpenoid with formula C20H24O4, originally isolated from Tripterygium wilfordii. It has a role as a plant metabolite and an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is an alpha,beta-unsaturated monocarboxylic acid, an abietane diterpenoid, a carbotricyclic compound, a tricyclic diterpenoid, a member of p-quinones and a cyclic terpene ketone.
Computed Properties
Molecular Weight:328.4
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:328.16745924
Monoisotopic Mass:328.16745924
Topological Polar Surface Area:71.4
Heavy Atom Count:24
Complexity:748
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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