oridonin (CHEBI:138236)

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CHEBI:138236 - oridonin

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ChEBI ID	CHEBI:138236
ChEBI Name	oridonin
Stars
Definition	An organic heteropentacyclic compound and ent-kaurane diterpenoid with formula C₂₀H₂₈O₆ isolated from the leaves of the medicinal herb Rabdosia rubescens.
Last Modified	18 August 2017
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C20H28O6
Net Charge	0
Average Mass	364.438
Monoisotopic Mass	364.18859
SMILES	[H][C@]12CC[C@H]3[C@@]45CO[C@](O)([C@@H](O)[C@]4([H])C(C)(C)CC[C@@H]5O)[C@@]3(C(=O)C1=C)[C@@H]2O
InChI	InChI=1S/C20H28O6/c1-9-10-4-5-11-18-8-26-20(25,19(11,14(9)22)15(10)23)16(24)13(18)17(2,3)7-6-12(18)21/h10-13,15-16,21,23-25H,1,4-8H2,2-3H3/t10-,11-,12-,13+,15+,16-,18+,19-,20+/m0/s1
InChIKey	SDHTXBWLVGWJFT-XKCURVIJSA-N

Species of Metabolite	Component	Source	Comments
Isodon rubescens (ncbitaxon:587669)	leaf (BTO:0000713)	PubMed (28259901)

Roles Classification

Biological Roles:	antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Applications:	angiogenesis inhibitor An agent and endogenous substances that antagonize or inhibit the development of new blood vessels. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. anti-asthmatic agent Any compound that has anti-asthmatic effects.

ChEBI Ontology

Outgoing Relation(s)
	oridonin (CHEBI:138236) has role angiogenesis inhibitor (CHEBI:48422)
	oridonin (CHEBI:138236) has role anti-asthmatic agent (CHEBI:65023)
	oridonin (CHEBI:138236) has role antibacterial agent (CHEBI:33282)
	oridonin (CHEBI:138236) has role antineoplastic agent (CHEBI:35610)
	oridonin (CHEBI:138236) has role apoptosis inducer (CHEBI:68495)
	oridonin (CHEBI:138236) has role plant metabolite (CHEBI:76924)
	oridonin (CHEBI:138236) is a ent-kaurane diterpenoid (CHEBI:36760)
	oridonin (CHEBI:138236) is a cyclic hemiketal (CHEBI:59780)
	oridonin (CHEBI:138236) is a enone (CHEBI:51689)
	oridonin (CHEBI:138236) is a organic heteropentacyclic compound (CHEBI:38164)
	oridonin (CHEBI:138236) is a secondary alcohol (CHEBI:35681)

IUPAC Name
(1α,5β,6β,7α,8α,9β,10α,13α,14R)-1,6,7,14-tetrahydroxy-7,20-epoxykaur-16-en-15-one

Synonyms	Source
oridonine	ChemIDplus
(1α,6β,7α,14R)-7,20-epoxy-1,6,7,14-tetrahydroxykaur-16-en-15-one	ChemIDplus
isodonol	ChemIDplus

Manual Xrefs	Databases
C00033270	KNApSAcK

Registry Numbers	Sources
Reaxys:1691227	Reaxys
CAS:28957-04-2	ChemIDplus

Citations