AromaDb: A Database of Plant's Aroma Molecules

Caryophyllene Oxide Details

: IUPAC Name
NA
:Chemical Class
:CAS Registry Number
17627-43-9
:Description

:Fragrance Type
sweet

Physical and Chemical properties

PUBCHEM ID14350
Molecular Weight (mg/mol)220.35
Molecular FormulaC15H24O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
IUPAC Name
Canonical SMILESC=C2CCC1OC1(C)CCC3C2CC3(C)C
PUBCHEM IUPAC INCHIKEYNVEQFIOZRFFVFW-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA3.6
CACTVS TPSA12.5
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP983.519
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 LD501.13262 g/kg_body_weight
Ocular IrritancyMild
Hepatotoxic#Prediction1
Effected Human GenesMAPK14, TNF

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 17627-43-9
2 17627-43-9
3 17627-43-9
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 17627-43-9 Caryophyllene Oxide

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Menthol mint, Corn mint, Japanese mint Damroo Mentha arvensis Damroo essential oil
2 Menthol mint, Corn mint, Japanese mint Himalaya Mentha arvensis Himalaya essential oil
3 Menthol mint, Corn mint, Japanese mint Kalka Mentha arvensis Kalka essential oil
4 Menthol mint, Corn mint, Japanese mint Sambhav Mentha arvensis Sambhav essential oil
5 Menthol mint, Corn mint, Japanese mint Kushal Mentha arvensis Kushal essential oil
6 Peppermint CIM-Madhuras Mentha piperita CIm-Madhuras essential oil
7 Peppermint CIMAP-Patra Mentha piperita CIMAP-Patra essential oil
8 Peppermint Kukrail Mentha piperita Kukrail essential oil
9 Peppermint CIM-Indus Mentha piperita CIM-Indus essential oil
10 French basil, Indian basil, Sweet basil Vikarsudha Ocimum basilicum vikarsudha essential oil
11 French basil, Indian basil, Sweet basil CIM-Sharada Ocimum basilicum CIM-Sharada essential oil
12 French basil, Indian basil, Sweet basil Kusumohak Ocimum basilicum Kusumohak essential oil
13 Lavendula angustifolia Sher-e-Kashmir Lavandula angustifolia sher-e-Kashmir essential oil
14 Lemongrass Cauvery Cymbopogon flexuosus Cauvery essential oil
15 Dusky Geranium phaeum essential oil
16 Lemon grass Cymbopogan citratus essential oil
17 Hornem Ocimum ciliatum essential oil
18 Holy basil Ocimum tenuiflorum essential oil
19 Menthol mint, Corn mint, Japanese mint CIM-Saryu Mentha arvensis CIM-Saryu essential oil
20 Bay Pimenta Racemosa essential oil
21 Lemongrass Krishna Cymbopogon flexuosus krishna essential oil
22 Agarwood plant Aquilaria sinensis essential oil
23 Kuth Saussurea lappa essential oil
24 Oregano Origanum vulgare essential oil
25 Gum rockrose Cistus ladanifer essential oil
26 Gum rockrose Cistus ladanifer ESSENTIAL OIL
27 Blackcurrant Ribes nigrum essential oil
28 Southern magnolia Magnolia grandiflora essential oil
29 Common yarrow Achillea millefolium essential oil
30 Mexican pepperleaf Piper auritum essential oil
31 Mexican pepperleaf Piper auritum essential oil
32 Garden heliotrope Galium odoratum essential oil
33 Frangipani Plumeria obtusa essential oil
34 Frangipani Plumeria obtusa essential oil
35 Abies sachalinensis Abies sachalinensis essential oil
36 Shampoo ginger. Bitter ginger Zingiber zerumbet essential oil
37 Goatweed Ageratum conyzoides essential oil
38 Yellow bugle Ajuga chamaepitys essential oil
39 Lemon verbena Aloysia citrodora essential oil
40 Shell ginger Alpinia zerumbet essential oil
41 Amyris elimifera Amyris elimifera essential oil
42 Anaphalis contorta Anaphalis contorta essential oil
43 Bauhinia ungulata Bauhinia ungulata essential oil
44 Bauhinia ungulata Bauhinia ungulata essential oil
45 Bauhinia ungulata Bauhinia ungulata essential oil
46 Jamun Syzygium cordatum essential oil
47 Bluebeard Caryopteris odorata essential oil
48 Amarbela Cassytha filiformis essential oil
49 Star Thistle Honey Centaurea calcitrapa essential oil
50 Star Thistle Honey Centaurea calcitrapa essential oil
51 Bramhi Centella asiatica essential oil
52 Bramhi Centella asiatica essential oil
53 Centratherum punctatum Centratherum punctatum essential oil
54 Centratherum punctatum Centratherum punctatum essential oil
55 Chikras Chukrasia tabularis essential oil
56 Wild basil Clinopodium vulgare essential oil
57 Fireweed Crassocephalum crepidioides essential oil
58 Fireweed Crassocephalum crepidioides essential oil
59 Courbaril Hymenaea courbaril essential oil
60 Wild carrot Daucus carota ssp. carota essential oil
61 Wild carrot Daucus carota essential oil
62 Satureja hortensis Satureja hortensis essential oil
63 Hibiscus surattensis Hibiscus surattensis essential oil

Compound Image


2D Structure

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