CSIR CIMAP AROMA | Compound Details

Alpha-Copaene Details

: IUPAC Name

:Chemical Class

Sesquiterpene

:CAS Registry Number

:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID	25245021
Molecular Weight (mg/mol)	204.351
Molecular Formula	C15H24
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
IUPAC Name
Canonical SMILES	C/C2=C/CC1C3C(C(C)C)CCC1(C)C23
PUBCHEM IUPAC INCHIKEY	VLXDPFLIRFYIME-PLWLXLEKSA-N
Solubility Level	2
Vapour Pressure	-1.805

Absorption and Metabolism information

XLOGP3 AA	4.5
CACTVS TPSA	0
BBB Level	0
Absorption Level	0
EXT PPB#Prediction	1
AlogP98	4.168
EXT CYP2D6#Prediction	0

Toxicological Information

Mouse Female FDA	Multi-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Single-Carcinogen
Rat Male FDA	Multi-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Toxic
Rat Oral LD50	2.23709 g/kg_body_weight
Ocular Irritancy	Severe
Hepatotoxic#Prediction	0
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction	Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	Moderate
Environmental hazards	not classified

About Table Headings

Compound Biological Activity

Serial No.	Cas No	Gene Symbol	Organism	Interaction	Interaction Actions	PubMed Id
1

Serial No.	Activity Name	Details	References (PubMed)	Other details EPA (U.S)	Clinical Trials (U.S. NIH)
1					Alpha-Copaene

Plant Variety and Essential oils

Serial No.	Plant Name	Variety Name	Essential Oil
1	Fennel, Saunf	CIM-sujal	Foeniculum vulgare CIM-Sujal essential oil
2	Clarysage	CIM-Chandni	Salvia sclarea CIM-Chandni essential oil
3	Spearmint	Neerkalka	Mentha spicata Neerkalka essential oil
4	Lavendula angustifolia	Sher-e-Kashmir	Lavandula angustifolia sher-e-Kashmir essential oil
5	Curry tree		Murraya koenigii essential oil
6	Pot marigold, ruddles, common marigold, garden marigold, English marigold, or Scottish marigold		Calendula officinalis essential oil
7	Sweet wormwood, Quinghao	CIM-Arogya	Artemisia annua CIM-Arogya essential oil
8	Sweet wormwood, Quinghao	Jeevanraksha	Artemisia annua Jeevanraksha essential oil
9	Kuth		Saussurea lappa essential oil
10	American pepper		Schinus molle essential oil
11	Pinnate lilac		Syringa pinnatifolia essential oil
12	Gum rockrose		Cistus ladanifer essential oil
13	Gum rockrose		Cistus ladanifer ESSENTIAL OIL
14	Common hop		Humulus lupulus essential oil
15	Common yarrow		Achillea millefolium essential oil
16	Mexican pepperleaf		Piper auritum essential oil
17	Mexican pepperleaf		Piper auritum essential oil
18	Henna		Lawsonia inermis essential oil
19	Crimson beebalm, Scarlet beebalm		Crimson beebalm essential oil
20	Abies sachalinensis		Abies sachalinensis essential oil
21	Shampoo ginger. Bitter ginger		Zingiber zerumbet essential oil
22	Goatweed		Ageratum conyzoides essential oil
23	Yellow bugle		Ajuga chamaepitys essential oil
24	Golden trumpet		Allamanda cathartica essential oil
25	Lemon verbena		Aloysia citrodora essential oil
26	Amyris elimifera		Amyris elimifera essential oil
27	Cashew tree		Anacardium occidentale essential oil
28	Cashew tree		Anacardium occidentale essential oil
29	Anaphalis contorta		Anaphalis contorta essential oil
30	Holy Ghost		Angelica archangelica essential oil
31	Sitafal		Annona cherimola essential oil
32	Sitafal		Annona cherimola essential oil
33	Sitafal		Annona cherimola essential oil
34	Custard apple		Annona reticulata essential oil
35	Bauhinia ungulata		Bauhinia ungulata essential oil
36	Bauhinia ungulata		Bauhinia ungulata essential oil
37	Bauhinia ungulata		Bauhinia ungulata essential oil
38	Jamun		Syzygium cordatum essential oil
39	Bluebeard		Caryopteris odorata essential oil
40	Amarbela		Cassytha filiformis essential oil
41	Bushkiller		Cayratia japonica essential oil
42	Bushkiller		Cayratia japonica essential oil
43	Centratherum punctatum		Centratherum punctatum essential oil
44	Centratherum punctatum		Centratherum punctatum essential oil
45	Chikras		Chukrasia tabularis essential oil
46	Fireweed		Crassocephalum crepidioides essential oil
47	Fireweed		Crassocephalum crepidioides essential oil
48	Courbaril		Hymenaea courbaril essential oil
49	Wild carrot		Daucus carota ssp. carota essential oil
50	Satureja hortensis		Satureja hortensis essential oil
51	White horehound		Marrubium vulgare essential oil
52	Hibiscus surattensis		Hibiscus surattensis essential oil