saikogenin E (CHEBI:189821)

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CHEBI:189821 - saikogenin E

ChEBI ID	CHEBI:189821
ChEBI Name	saikogenin E
Stars
Last Modified	16 February 2022
Submitter	Adnan
Downloads	Molfile

Formula	C30H48O3
Net Charge	0
Average Mass	456.711
Monoisotopic Mass	456.36035
SMILES	[H][C@]12C=C[C@]34OC[C@@]5(CCC(C)(C)C[C@]53[H])[C@@H](O)C[C@@]4(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChI	InChI=1S/C30H48O3/c1-24(2)14-15-29-18-33-30(21(29)16-24)13-9-20-26(5)11-10-22(31)25(3,4)19(26)8-12-27(20,6)28(30,7)17-23(29)32/h9,13,19-23,31-32H,8,10-12,14-18H2,1-7H3/t19-,20+,21+,22-,23-,26-,27+,28-,29+,30-/m0/s1
InChIKey	IUXCCCANLLMMGX-KTLSIJAESA-N

Species of Metabolite	Component	Source	Comments
Bupleurum bicaule (ncbitaxon:948041)	Root (BTO:0001188)	PubMed (24863358)
Bupleurum falcatum (ncbitaxon:46367)	-	DOI (10.1016/S0040-4039(00)72932-7)

Roles Classification

Biological Roles:

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).

ChEBI Ontology

Outgoing Relation(s)
	saikogenin E (CHEBI:189821) has parent hydride oleanane (CHEBI:36481)
	saikogenin E (CHEBI:189821) has role plant metabolite (CHEBI:76924)
	saikogenin E (CHEBI:189821) has role rat metabolite (CHEBI:86264)
	saikogenin E (CHEBI:189821) is a bridged compound (CHEBI:35990)
	saikogenin E (CHEBI:189821) is a cyclic ether (CHEBI:37407)
	saikogenin E (CHEBI:189821) is a diol (CHEBI:23824)
	saikogenin E (CHEBI:189821) is a hexacyclic triterpenoid (CHEBI:70994)
Incoming Relation(s)
Incoming Relation(s)	saikosaponin C (CHEBI:189704) has functional parent saikogenin E (CHEBI:189821)

IUPAC Name
13,28-epoxyolean-11-ene-3β,16β-diol

Manual Xrefs	Databases
10217499	ChemSpider

Registry Numbers	Sources
CAS:13715-23-6	ChEBI

Citations