ChEBI
  Marvin  09060512352D          

 11 11  0  0  0  0            999 V2000
    6.6922   -3.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9757   -2.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7030   -4.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4436   -4.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4389   -5.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7503   -5.7185    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0097   -5.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0144   -4.5108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4777   -6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7611   -6.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0725   -6.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  8  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
 10  6  1  0  0  0  0
  8  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
M  END
> <ID>
CHEBI:15420

> <NAME>
perillyl alcohol

> <DEFINITION>
A limonene monoterpenoid consists of a cyclohexene ring substituted by a hydroxymethyl  and a prop-1-en-2-yl group at positions 1 and 4 respectively. It is a constituent of a variety of essential oils including lavender.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:18496; CHEBI:8022; CHEBI:14772

> <SYNONYM>
perillyl alcohol; Perillol; Perilla alcohol; p-Mentha-1,8-dien-7-ol; Isocarveol; dihydrocuminyl alcoholn; 4-Isopropenylcyclohex-1-en-1-ylmethanol; 4-Isopropenyl-1-cyclohexene carbinol; 4-(1-Methylethenyl)-1-cyclohexene-1-methanol; 1-perillalcohol; 1-Hydroxymethyl-4-isopropenyl-1-cyclohexene

> <IUPAC_NAME>
[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol

> <FORMULA>
C10H16O

> <MASS>
152.23344

> <MONOISOTOPIC_MASS>
152.12012

> <CHARGE>
0

> <SMILES>
CC(=C)C1CCC(CO)=CC1

> <INCHI>
InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3

> <INCHIKEY>
NDTYTMIUWGWIMO-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
536-59-4

> <REAXYS_REGISTRY_NUMBER>
2044612

> <CHEMIDPLUS>
536-59-4

> <METACYC_ACCESSION>
Perillyl-Alcohols

> <NIST_CHEMISTRY_WEBBOOK>
536-59-4

> <PUBMED_CITATION>
10379660; 11840288; 15210838; 23727191

$$$$