EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:132905 - α-cadinol

ChEBI IDCHEBI:132905
ChEBI Nameα-cadinol
Stars
ASCII Namealpha-cadinol
DefinitionA cadinane sesquiterpenoid that is cadin-4-ene carrying a hydroxy substituent at position 10.
Last Modified27 November 2023
Submitterliuqingping
DownloadsMolfile
FormulaC15H26O
Net Charge0
Average Mass222.372
Monoisotopic Mass222.19837
SMILES[H][C@@]12CCC(C)=C[C@@]1([H])[C@H](C(C)C)CC[C@@]2(C)O
InChIInChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14+,15+/m0/s1
InChIKeyLHYHMMRYTDARSZ-BYNSBNAKSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Litsea acutivena (ncbitaxon:344083)
twig (BTO:0001411) PubMed (22224304)
leaf (BTO:0000713) PubMed (22224304)
Helichrysum armenium (ncbitaxon:261777)
flower (BTO:0000469) PubMed (22799105)
stem (BTO:0001300) PubMed (22799105)
leaf (BTO:0000713) PubMed (22799105)
Pulicaria stephanocarpa (ncbitaxon:557708) leaf (BTO:0000713) PubMed (22428262)
Camellia sinensis (ncbitaxon:4442) flower (BTO:0000469) PubMed (21922925)
Pogostemon travancoricus (IPNI:454911-1) - PubMed (22428255) Isolated from the essential oil
Croton gossypiifolius (ncbitaxon:323053) leaf (BTO:0000713) PubMed (21366055)
Matricaria pubescens (IPNI:231976-1) - PubMed (21425687) Isolated from the essential oil
Cochlospermum angolense (IPNI:111520-1)
root (BTO:0001188) PubMed (22799094)
leaf (BTO:0000713) PubMed (22799094)
Neolitsea parvigemma (IPNI:467010-1) leaf (BTO:0000713) PubMed (21941915)
Taiwania cryptomerioides (ncbitaxon:50187) twig (BTO:0001411) PubMed (22474975)
Chamaecyparis formosensis (ncbitaxon:187461) twig (BTO:0001411) PubMed (22908586)
Pleiospermium alatum (ncbitaxon:77053)
stem (BTO:0001300) Article (Journal of essential oil research, (2011), 23, 1-4)
root (BTO:0001188) Article (Journal of essential oil research, (2011), 23, 1-4)
leaf (BTO:0000713) Article (Journal of essential oil research, (2011), 23, 1-4)
Machilus zuihoensis var. mushaensis (ncbitaxon:337467) leaf (BTO:0000713) PubMed (23513747)
Chamaecyparis obtusa var. formosana (ncbitaxon:187462) - PubMed (25026733) Isolated from essential oil
Juniperus formosana (ncbitaxon:453927)
leaf (BTO:0000713) PubMed (24273878)
fruit (BTO:0000486) PubMed (24273878)
Baccharoides lilacina (IPNI:20008441-1) aerial part (BTO:0001658) PubMed (23678821)
Bergenia crassifolia (ncbitaxon:29762) leaf (BTO:0000713) PubMed (24895781)
Cionura erecta (ncbitaxon:157398) root (BTO:0001188) PubMed (26114128)
Anaphalis contorta (ncbitaxon:1209452) flower (BTO:0000469) PubMed (23513735)
Neolitsea variabillima (ncbitaxon:1609883) leaf (BTO:0000713) PubMed (23738472)
Schisandra glaucescens (ncbitaxon:124787) stem (BTO:0001300) PubMed (23373215)
Xenophyllum poposum (ncbitaxon:462584) - PubMed (23413577) Isolated from essential oil and methanol extracts
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.
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
fungicide  A substance used to destroy fungal pests.
Application:
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
α-cadinol (CHEBI:132905) has role fungicide (CHEBI:24127)
α-cadinol (CHEBI:132905) has role plant metabolite (CHEBI:76924)
α-cadinol (CHEBI:132905) has role volatile oil component (CHEBI:27311)
α-cadinol (CHEBI:132905) is a cadinane sesquiterpenoid (CHEBI:22975)
α-cadinol (CHEBI:132905) is a carbobicyclic compound (CHEBI:36785)
α-cadinol (CHEBI:132905) is a octahydronaphthalenes (CHEBI:138397)
α-cadinol (CHEBI:132905) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1R,4S,4aR,8aR)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol
Synonyms  Source
alpha-CadinolKNApSAcK
(-)-alpha-CadinolKNApSAcK
(1R,4S,4aR,8aR)-4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-olNIST Chemistry WebBook
Cadin-4-en-10-olNIST Chemistry WebBook
UniProt Name  Source
α-cadinolUniProt
Manual XrefsDatabases
C00020065KNApSAcK
A-CadinolWikipedia
Registry NumbersSources
Reaxys:2048004Reaxys
CAS:481-34-5KNApSAcK
CAS:481-34-5NIST Chemistry WebBook
Citations