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 Holy Basil, Tulsi CIM-Kanchan Ocimum sanctum CIM-Kanchan essential oil
3 Peppermint CIM-Madhuras Mentha piperita CIm-Madhuras essential oil
4 Peppermint Pranjal Mentha piperita Pranjal essential oil
5 Peppermint Kukrail Mentha piperita Kukrail essential oil
6 Peppermint Tushar Mentha piperita Tushar essential oil
7 Peppermint CIM-Indus Mentha piperita CIM-Indus essential oil
8 Bergot mint Kiran Mentha citrata Kiran essential oil
9 French basil, Indian basil, Sweet basil CIM-Sharada Ocimum basilicum CIM-Sharada essential oil
10 French basil, Indian basil, Sweet basil Kusumohak Ocimum basilicum Kusumohak essential oil
11 Spearmint Arka Mentha spicata Arka essential oil
12 Spearmint Neera Mentha spicata Neera essential oil
13 Rosemary CIM-Hariyali Rosmarinus officinali CIM-Hariyali essential oil
14 Lavendula angustifolia Sher-e-Kashmir Lavandula angustifolia sher-e-Kashmir essential oil
15 Java Cittronella CIM-Jeeva Cymbopogon winterianus CIM-Jeeva essential oil
16 Java Cittronella CIMAP-Bio-13 Cymbopogon winterianus CIMAP-Bio-13 essential oil
17 Horsechestnut Aesculus hippocastanum essential oil
18 Pot marigold, ruddles, common marigold, garden marigold, English marigold, or Scottish marigold Calendula officinalis essential oil
19 American wild mint Mentha essential canadensis essential oil
20 Lemon beebalm, Lemon mint Monarda citriodora essential oil
21 Oliveria Oliveria decumbens essential oil
22 Clarysage Salvia officinalis essential oil
23 Garden Mint, Pudina Ganga Mentha Viridis essential oil
24 Garden Mint, Pudina Supriya Mentha Viridis Supriya essential oil
25 Sweet wormwood, Quinghao CIM-Arogya Artemisia annua CIM-Arogya essential oil
26 Sweet wormwood, Quinghao Jeevanraksha Artemisia annua Jeevanraksha essential oil
27 Java Cittronella Mandakni Cymbopogon winterianus Mandakni essential oil
28 Java Cittronella Manjari Cymbopogon winterianus Manjari essential oil
29 Water dropwort Oenanthe crocata essential oil
30 Water dropwort Oenanthe crocata essential oil
31 Clove nutmeg Ravensara aromatica essential oil
32 Catnip, Catswort, or Catmint Nepeta cataria essential oil
33 Bay laurel, Sweet bay, Bay tree Laurus nobilis essential oil
34 Cummin Cuminum cyminum essential oil
35 sweet yarrow Achillea ageratum essential oil
36 Aframomum stipulatum Aframomum stipulatum
37 Yellow bugle Ajuga chamaepitys essential oil
38 Lemon verbena Aloysia citrodora essential oil
39 Shell ginger Alpinia zerumbet essential oil
40 Black cardamom Amomum subulatum essential oil
41 Amyris elimifera Amyris elimifera essential oil
42 Bottlebrushes Callistemon citrinus essential oil
43 Chaerophyllum villosum Chaerophyllum villosum essential oil
44 Chaerophyllum villosum Chaerophyllum villosum essential oil
45 Chrysanthemum coronarium Chrysanthemum indicum essential oil
46 Mums Chrysanthemum indicum essential oil
47 Wild basil Clinopodium vulgare essential oil
48 Narrow-leaved turmeric Curcuma angustifolia essential oil
49 Dracocephalum moldavica NA
50 Vietnamese Balm Elsholtzia ciliata essential oil
51 Hibiscus surattensis Hibiscus surattensis essential oil
52 Southern blue-gum Eucalyptus globulus essential oil

Compound Image


2D Structure

Download




Download Sdf File Download PDB File Download MOL File
View Similar Structures