UCSF

ZINC03861538

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 11 Yes

Popular Name: (S)-(4-(Prop-1-en-2-yl)cyclohex-1-en-1-yl)methanol (S)-(4-(Prop-1-en-2-yl)cyclohex-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 18457-55-1 , 536-59-4 , 536-59-4, 18457-55-1 , [18457-55-1] , [536-59-4]

Other Names:

"Dihydro cuminyl alcohol, 85%"

(-)-(S)-Perillyl alcohol;(-)-p-Mentha-1,8-dien-7-ol;(-)-Perillic alcohol;(-)-Perillyl alcohol;(S)-(-)-(4-Isopropenyl-1-cyclohexenyl)methanol;(S)-(-)-Perillyl alcohol;(S)-Perillyl alcohol;4-(1-Methylethenyl)-(4S)-1-Cyclohexene-1-methanol;L-Perillyl alcohol

(-)-Perillyl alcohol

(-)-Perillyl alcohol; (-)-Perillylalcohol; (S)-(-)-Perillyl alcohol; (S)-4-Isopropenyl-1-cyclohexenylmethanol; (S)-p-Mentha-1,8-dien-7-ol; 1-Cyclohexene-1-methanol, 4-(1-methylethenyl); 4-isopropenylcyclohex-1-en-1-ylmethanol; Perilla alcohol; Perillic al

(-)-Perillyl alcohol; (-)-Perillylalcohol; 18457-55-1; C02452; Perillyl alcohol; p-Mentha-1,8-dien-7-ol

(-)-PERILLYL ALCOHOL; [18457-55-1]

(-)-Perillyl alcohol;(S)-(-)-Perillyl alcohol;1,8-p-Menthadien-7-ol;4-Isopropenyl-1-cyclohexene carbinol;4-Isopropenyl-cyclohex-1-ene-1-methanol;4-Isopropenylcyclohex-1-en-1-ylmethanol;Dihydrocuminic alcohol;Dihydrocuminyl alcohol;Hydrocumin alcohol;Iso-c

(-)-Perillylalcohol [18457-55-1]

(4-(Prop-1-en-2-yl)cyclohex-1-en-1-yl)methanol

(4S)-perillyl alcohol; 4-isopropenylcyclohex-1-en-1-ylmethanol; Perillyl alcohol

(S)-p-Mentha-1,8-dien-7-ol

1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-; 1-Hydroxymethyl-4-isopropenyl-1-cyclohexene; 4-(1-Methylethenyl)-1-cyclohexene-1-methanol; 4-Isopropenyl-1-cyclohexene carbinol; 4-Isopropenyl-cyclohex-1-ene-1-methanol; 4-Isopropenylcyclohex-1-en-1-ylmethan

1-Hydroxymethyl-4-isopropenyl-1-cyclohexene; 1-perillalcohol; 4-(1-Methylethenyl)-1-cyclohexene-1-methanol; 4-Isopropenyl-1-cyclohexene carbinol; 4-Isopropenylcyclohex-1-en-1-ylmethanol; Isocarveol; Perilla alcohol; Perillol; dihydrocuminyl alcoholn; p-Me

CHEBI:18496; CHEBI:8022; CHEBI:14772

DIHYDRO CUMINYL ALCOHOL

L-(-)-Perillyl alcohol

L-(-)-Perillyl alcohol, 85%+

MFCD00001567

MFCD00062995

PERILLYL ALCOHOL

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

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 3.94 -3.02 1 1 0 20 152.237 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
therap antineoplastic, apoptosis inducer; skin irritant, LD50(rat) 2100 mg/kg po MicroSource Spectrum
UniProt Database Links CP2C9_HUMAN; CP2CJ_HUMAN; DBR_TOBAC; GEOA_CASDE; LIHY_GEOSE; RDH16_HUMAN ChEBI
Patent Database Links US2007219131; US2008226710; US2008292585 ChEBI
PUBCHEM_PATENT_ID WO1999000347A1 IBM Patent Data

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