spathulenol (CHEBI:132824)

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ChEBI Name	spathulenol

ChEBI ID	CHEBI:132824

Definition	A tricyclic sesquiterpenoid that is 4-methylidenedecahydro-1H-cyclopropa[e]azulene carrying three methyl substituents at positions 1, 1 and 7 as well as a hydroxy substituent at position 7.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	qingping liu

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Formula

C15H24O

Net Charge

Average Mass

220.351

Monoisotopic Mass

220.18272

InChI

InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12+,13+,15-/m0/s1

InChIKey

FRMCCTDTYSRUBE-BGPZULBFSA-N

SMILES

[C@@H]12C(C)(C)[C@@H]1CCC([C@]3([C@]2([C@](CC3)(O)C)[H])[H])=C

Metabolite of Species	Details
Aloysia gratissima (NCBI:txid105888)	Obtained from the essential oil See: PubMed
Cryptocarya lividula (NCBI:txid1118764)	Found in leaf (BTO:0000713). See: PubMed
Eugenia uniflora (NCBI:txid119951)	Found in leaf (BTO:0000713). See: PubMed
Glycosmis lucida (NCBI:txid1224769)	Found in leaf (BTO:0000713). See: PubMed
Murraya microphylla (NCBI:txid1224774)	Obtained from the essential oil See: PubMed
Ocotea pulchella (NCBI:txid128671)	Found in leaf (BTO:0000713). See: PubMed
Ocotea pulchella (NCBI:txid128671)	Found in root (BTO:0001188). See: PubMed
Ocotea pulchella (NCBI:txid128671)	Found in stem (BTO:0001300). See: PubMed
Stachys annua (NCBI:txid1391948)	Found in aerial part (BTO:0001658). See: PubMed
Salvia mirzayanii (NCBI:txid1571167)	Isolated from methanol extract See: PubMed
Annonaceae (NCBI:txid22140)	Found in fruit (BTO:0000486). See: PubMed
Alisma orientale (NCBI:txid262913)	Found in tuber (BTO:0001400). See: PubMed
Lophostemon suaveolens (NCBI:txid271919)	Found in leaf (BTO:0000713). See: PubMed
Xanthium strumarium (NCBI:txid318068)	Found in aerial part (BTO:0001658). See: PubMed
Bupleurum (NCBI:txid46366)	Found in flower (BTO:0000469). See: PubMed
Bupleurum (NCBI:txid46366)	Found in fruit (BTO:0000486). See: PubMed
Actinodaphne pruinosa (NCBI:txid489012)	Found in leaf (BTO:0000713). See: PubMed
Clinopodium chinense (NCBI:txid516070)	Obtained from the essential oil See: PubMed

Roles Classification
Biological Role(s):	volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application(s):	anaesthetic Substance which produces loss of feeling or sensation. vasodilator agent A drug used to cause dilation of the blood vessels.

ChEBI Ontology
Outgoing	spathulenol (CHEBI:132824) has role anaesthetic (CHEBI:38867) spathulenol (CHEBI:132824) has role plant metabolite (CHEBI:76924) spathulenol (CHEBI:132824) has role vasodilator agent (CHEBI:35620) spathulenol (CHEBI:132824) has role volatile oil component (CHEBI:27311) spathulenol (CHEBI:132824) is a carbotricyclic compound (CHEBI:38032) spathulenol (CHEBI:132824) is a olefinic compound (CHEBI:78840) spathulenol (CHEBI:132824) is a sesquiterpenoid (CHEBI:26658) spathulenol (CHEBI:132824) is a tertiary alcohol (CHEBI:26878)

IUPAC Name

(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidenedecahydro-1H-cyclopropa[e]azulen-7-ol

Last Modified

24 January 2017