AromaDb: A Database of Plant's Aroma Molecules

1,8-Cineole Details

: IUPAC Name
(1S,4R,5S)-2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-ol
:Chemical Class
Monoterpene
:CAS Registry Number
:Description

:Fragrance Type
mint

Physical and Chemical properties

PUBCHEM ID6857383
Molecular Weight (mg/mol)170.249
Molecular FormulaC10H18O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
IUPAC Name(1S,4R,5S)-2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-ol
Canonical SMILESCC1(C)OC2(C)CCC1CC2O
PUBCHEM IUPAC INCHIKEYYVCUGZBVCHODNB-OYNCUSHFSA-N
Solubility Level4
Vapour Pressure-1.857

Absorption and Metabolism information

XLOGP3 AA1.2
CACTVS TPSA29.5
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP981.18
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 LD503.56913 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human Genes

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 1,8-Cineole

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Holy Basil, Tulsi CIM-Angana Ocimum sanctum CIM-Angana essential oil
2 Peppermint Pranjal Mentha piperita Pranjal essential oil
3 Peppermint CIM-Madhuras Mentha piperita CIm-Madhuras essential oil
4 Peppermint Kukrail Mentha piperita Kukrail essential oil
5 Peppermint Tushar Mentha piperita Tushar essential oil
6 Bergot mint Kiran Mentha citrata Kiran essential oil
7 Peppermint CIM-Indus Mentha piperita CIM-Indus essential oil
8 French basil, Indian basil, Sweet basil CIM-Sharada Ocimum basilicum CIM-Sharada essential oil
9 French basil, Indian basil, Sweet basil Kusumohak Ocimum basilicum Kusumohak essential oil
10 Spearmint Arka Mentha spicata Arka essential oil
11 Spearmint Neera Mentha spicata Neera essential oil
12 Rosemary CIM-Hariyali Rosmarinus officinali CIM-Hariyali essential oil
13 Lavendula angustifolia Sher-e-Kashmir Lavandula angustifolia sher-e-Kashmir essential oil
14 Java Cittronella CIM-Jeeva Cymbopogon winterianus CIM-Jeeva essential oil
15 Java Cittronella CIMAP-Bio-13 Cymbopogon winterianus CIMAP-Bio-13 essential oil
16 Horsechestnut Aesculus hippocastanum essential oil
17 Pot marigold, ruddles, common marigold, garden marigold, English marigold, or Scottish marigold Calendula officinalis essential oil
18 American wild mint Mentha essential canadensis essential oil
19 Lemon beebalm, Lemon mint Monarda citriodora essential oil
20 Oliveria Oliveria decumbens essential oil
21 Clarysage Salvia officinalis essential oil
22 Garden Mint, Pudina Ganga Mentha Viridis essential oil
23 Garden Mint, Pudina Supriya Mentha Viridis Supriya essential oil
24 Sweet wormwood, Quinghao CIM-Arogya Artemisia annua CIM-Arogya essential oil
25 Sweet wormwood, Quinghao Jeevanraksha Artemisia annua Jeevanraksha essential oil
26 Java Cittronella Mandakni Cymbopogon winterianus Mandakni essential oil
27 Java Cittronella Manjari Cymbopogon winterianus Manjari essential oil
28 Water dropwort Oenanthe crocata essential oil
29 Water dropwort Oenanthe crocata essential oil
30 Clove nutmeg Ravensara aromatica essential oil
31 Catnip, Catswort, or Catmint Nepeta cataria essential oil
32 Bay laurel, Sweet bay, Bay tree Laurus nobilis essential oil
33 Cummin Cuminum cyminum essential oil
34 sweet yarrow Achillea ageratum essential oil
35 Aframomum stipulatum Aframomum stipulatum
36 Yellow bugle Ajuga chamaepitys essential oil
37 Lemon verbena Aloysia citrodora essential oil
38 Shell ginger Alpinia zerumbet essential oil
39 Black cardamom Amomum subulatum essential oil
40 Amyris elimifera Amyris elimifera essential oil
41 Bottlebrushes Callistemon citrinus essential oil
42 Chaerophyllum villosum Chaerophyllum villosum essential oil
43 Chaerophyllum villosum Chaerophyllum villosum essential oil
44 Chrysanthemum coronarium Chrysanthemum indicum essential oil
45 Mums Chrysanthemum indicum essential oil
46 Wild basil Clinopodium vulgare essential oil
47 Narrow-leaved turmeric Curcuma angustifolia essential oil
48 Dracocephalum moldavica NA
49 Vietnamese Balm Elsholtzia ciliata essential oil
50 Hibiscus surattensis Hibiscus surattensis essential oil
51 Southern blue-gum Eucalyptus globulus essential oil

Compound Image


2D Structure

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