AromaDb: A Database of Plant's Aroma Molecules

Alpha-Cadinol Details

: IUPAC Name
(1R,4S,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
oily

Physical and Chemical properties

PUBCHEM ID10398656
Molecular Weight (mg/mol)222.366
Molecular FormulaC15H26O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
IUPAC Name(1R,4S,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
Canonical SMILESC/C2=C/C1C(C(C)C)CCC(C)(O)C1CC2
PUBCHEM IUPAC INCHIKEYLHYHMMRYTDARSZ-BYNSBNAKSA-N
Solubility Level2
Vapour Pressure-2.955

Absorption and Metabolism information

XLOGP3 AA3.3
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.778
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.64774 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human GenesCCL19

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Moderate
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 Alpha-Cadinol

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Peppermint CIM-Madhuras Mentha piperita CIm-Madhuras essential oil
2 Peppermint CIMAP-Patra Mentha piperita CIMAP-Patra essential oil
3 Sweet flag, Vach, Bhoja CIM-Balya Acorus calamus CIM-Balya essential oil
4 Peppermint CIM-Indus Mentha piperita CIM-Indus essential oil
5 French basil, Indian basil, Sweet basil CIM-Saumya Ocimum basilicum CIM-Saumya essential oil
6 French basil, Indian basil, Sweet basil Vikarsudha Ocimum basilicum vikarsudha essential oil
7 French basil, Indian basil, Sweet basil CIM-Sharada Ocimum basilicum CIM-Sharada essential oil
8 Spearmint MSS-5 Mentha spicata MSS-5 essential oil
9 Spearmint Neera Mentha spicata Neera essential oil
10 Spearmint Neerkalka Mentha spicata Neerkalka essential oil
11 Hook Cymbopogon microstachys essential oil
12 Sweet wormwood, Quinghao CIM-Arogya Artemisia annua CIM-Arogya essential oil
13 Sweet wormwood, Quinghao Jeevanraksha Artemisia annua Jeevanraksha essential oil
14 White turmeric Curcuma zedoaria essential oil
15 American pepper Schinus molle essential oil
16 Pinnate lilac Syringa pinnatifolia essential oil
17 Blackcurrant Ribes nigrum essential oil
18 Abies sachalinensis Abies sachalinensis essential oil
19 Yellow bugle Ajuga chamaepitys essential oil
20 Anaphalis contorta Anaphalis contorta essential oil
21 Sitafal Annona cherimola essential oil
22 Sitafal Annona cherimola essential oil
23 Sitafal Annona cherimola essential oil
24 Custard apple Annona reticulata essential oil
25 Bauhinia ungulata Bauhinia ungulata essential oil
26 Bauhinia ungulata Bauhinia ungulata essential oil
27 Bauhinia ungulata Bauhinia ungulata essential oil
28 Plymouth thistle Carduus pycnocephalus essential oil
29 Star Thistle Honey Centaurea calcitrapa essential oil
30 Star Thistle Honey Centaurea calcitrapa essential oil
31 Courbaril Hymenaea courbaril essential oil
32 Hibiscus surattensis Hibiscus surattensis essential oil

Compound Image


2D Structure

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(External database - ChemAxon)