CHEBI:132905 - α-cadinol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-cadinol
ChEBI ID CHEBI:132905
ChEBI ASCII Name alpha-cadinol
Definition A cadinane sesquiterpenoid that is cadin-4-ene carrying a hydroxy substituent at position 10.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
Download Molfile XML SDF
Formula C15H26O
Net Charge 0
Average Mass 222.367
Monoisotopic Mass 222.19837
InChI InChI=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
InChIKey LHYHMMRYTDARSZ-BYNSBNAKSA-N
SMILES O[C@]1([C@]2([C@]([C@@H](CC1)C(C)C)(C=C(CC2)C)[H])[H])C
Metabolite of Species Details
Cochlospermum angolense (IPNI:111520-1) Found in leaf (BTO:0000713). See: PubMed
Cochlospermum angolense (IPNI:111520-1) Found in root (BTO:0001188). See: PubMed
Baccharoides lilacina (IPNI:20008441-1) Found in aerial part (BTO:0001658). See: PubMed
Matricaria pubescens (IPNI:231976-1) Isolated from the essential oil See: PubMed
Pogostemon travancoricus (IPNI:454911-1) Isolated from the essential oil See: PubMed
Neolitsea parvigemma (IPNI:467010-1) Found in leaf (BTO:0000713). See: PubMed
Anaphalis contorta (NCBI:txidtxid1209452) Found in flower (BTO:0000469). See: PubMed
Schisandra glaucescens (NCBI:txidtxid124787) Found in stem (BTO:0001300). See: PubMed
Cionura erecta (NCBI:txidtxid157398) Found in root (BTO:0001188). See: PubMed
Neolitsea var.abillima (NCBI:txidtxid1609883) Found in leaf (BTO:0000713). See: PubMed
Chamaecyparis formosensis (NCBI:txidtxid187461) Found in twig (BTO:0001411). See: PubMed
Chamaecyparis obtusa var. formosana (NCBI:txidtxid187462) Isolated from essential oil See: PubMed
Helichrysum armenium (NCBI:txidtxid261777) Found in flower (BTO:0000469). See: PubMed
Helichrysum armenium (NCBI:txidtxid261777) Found in stem (BTO:0001300). See: PubMed
Helichrysum armenium (NCBI:txidtxid261777) Found in leaf (BTO:0000713). See: PubMed
Bergenia crassifolia (NCBI:txidtxid29762) Found in leaf (BTO:0000713). See: PubMed
Croton gossypiifolius (NCBI:txidtxid323053) Found in leaf (BTO:0000713). See: PubMed
Machilus zuihoensis var. mushaensis (NCBI:txidtxid337467) Found in leaf (BTO:0000713). See: PubMed
Litsea acutivena (NCBI:txidtxid344083) Found in leaf (BTO:0000713). See: PubMed
Litsea acutivena (NCBI:txidtxid344083) Found in twig (BTO:0001411). See: PubMed
Camellia sinensis (NCBI:txidtxid4442) Found in flower (BTO:0000469). See: PubMed
Juniperus formosana (NCBI:txidtxid453927) Found in leaf (BTO:0000713). See: PubMed
Juniperus formosana (NCBI:txidtxid453927) Found in fruit (BTO:0000486). See: PubMed
Xenophyllum poposum (NCBI:txidtxid462584) Isolated from essential oil and methanol extracts See: PubMed
Taiwania cryptomerioides (NCBI:txidtxid50187) Found in twig (BTO:0001411). See: PubMed
Pulicaria stephanocarpa (NCBI:txidtxid557708) Found in leaf (BTO:0000713). See: PubMed
Pleiospermium alatum (NCBI:txidtxid77053) Found in root (BTO:0001188). See: Journal of essential oil research, (2011), 23, 1-4
Pleiospermium alatum (NCBI:txidtxid77053) Found in leaf (BTO:0000713). See: Journal of essential oil research, (2011), 23, 1-4
Pleiospermium alatum (NCBI:txidtxid77053) Found in stem (BTO:0001300). See: Journal of essential oil research, (2011), 23, 1-4
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
fungicide
A substance used to destroy fungal pests.
volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
Application(s): fungicide
A substance used to destroy fungal pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(-)-alpha-Cadinol KNApSAcK
(1R,4S,4aR,8aR)-4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol NIST Chemistry WebBook
alpha-Cadinol KNApSAcK
Cadin-4-en-10-ol NIST Chemistry WebBook
Manual Xref Database
C00020065 KNApSAcK
View more database links
Registry Numbers Types Sources
2048004 Reaxys Registry Number Reaxys
481-34-5 CAS Registry Number KNApSAcK
481-34-5 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
20803379 PubMed citation Europe PMC
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25026733 PubMed citation Europe PMC
26114128 PubMed citation Europe PMC
IND44628109 Agricola citation Europe PMC
Last Modified
07 September 2017