UCSF

ZINC05735752

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 11 No

Popular Name: (+)-PULEGONE (+)-PULEGONE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 89-82-7 , [89-82-7]

Other Names:

(+)-(R)-Pulegone; (+)-pulegone; (1R)-(+)-p-Menth-4(8)-en-3-one; (5R)-2-isopropylidene-5-methylcyclohexanone; (5R)-5-methyl-2-(propan-2-ylidene)cyclohexan-1-one; (R)-2-Isopropylidene-5-methylcyclohexanone; (R)-p-Menth-4(8)-en-3-one; (R)-pulegone; 1beta-p-m

(+)-(R)-Pulegone; (+)-Pulegone; (1R)-(+)-p-Menth-4(8)-en-3-one; (R)-(+)-Pulegone; (R)-Pulegone; 1-Isopropylidene-4-methyl-2-cyclohexanone; 1-Methyl-4-isopropylidene-3-cyclohexanone; 3-Methyl-6-isopropylidenecyclohexanone; 4(8)-p-Menthen-3-one, delta-; 5-M

(+)-(R)-Pulegone; (1R)-(+)-p-Menth-4(8)-en-3-one; (5R)-2-isopropylidene-5-methylcyclohexanone; (R)-pulegone; d-Pulegone

(+)-4(8)-Para-menthen-3-one;(+)-Pulegone;(1R)-(+)-p-Menth-4(8)-en-3-one;(R)-Pulegone;D-Pulegone;FEMA 2963;p-Menth-4(8)-en-3-one

(+)-cis-isopulegone

(+)-cis-Isopulegone; C11951

(+)-cis-isopulegone; CPD-4941

(+)-Isopulegone;(-)-trans-p-Menth-8-en-3-one;(2R-trans)-5-methyl-2-(1-methylethenyl)-cyclohexanone

(+)-Pulegone; 89-82-7; C09893; Pulegone

(+)-pulegone; CPD-4942

(+-)-Pulegone; 1-Isopropylidene-4-methyl-2-cyclohexanone; 1-Methyl-4-isopropylidene-3-cyclohexanone; 2-Isopropylidene-5-methylcyclohexanone; 4(8)-p-Menthen-3-one; 5-Methyl-2-(1-methylethylidene)cyclohexanone; 5-Methyl-2-isopropylidenecyclohexanone; Cycloh

(+-)-Pulegone; 1-Isopropylidene-4-methyl-2-cyclohexanone; 1-Methyl-4-isopropylidene-3-cyclohexanone; 4(8)-p-Menthen-3-one; 5-Methyl-2-(1-methylethylidene)cyclohexanone; 5-Methyl-2-isopropylidenecyclohexanone; Pulegone; pulegones

(-)-trans-Isopulegone

(2R,5R)-isopulegone

(5R)-5-methyl-2-(propan-2-ylidene)cyclohexanone

(R)-(+)-Pulegone

(R)-p-Menth-4(8)-en-3-one

1-Isopropyl-4-methyl-2-cyclohexanone; 1-Methyl-4-isopropenyl-3-cyclohexanone; 8(9)-p-Menthen-3-one, delta-; Cyclohexanone, 5-methyl-2-(1-methylethenyl)-, trans-; EINECS 249-725-6; FEMA No. 2964; Isopulegon; Isopulegone; Isopulegone (natural); LS-89529; P-

1-Methyl-4-isopropenyl-3-cyclohexanone; Isopulegone

CHEBI:18444; CHEBI:29455

CHEBI:8635; CHEBI:18460

MFCD00001653

MFCD00063000

p-menth-4(8)-en-3-one

p-menth-8-en-3-one

Pulegone, 92%, pract.

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) 2.52 6.43 -4.55 0 1 0 17 152.237 0 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 97 (p=12 torr) Acros Organics
Purity 98% Fluorochem
UniProt Database Links DBR_TOBAC; MDH_TOBAC; MFS_MENPI; PULR_MENPI ChEBI
UniProt Database Links PULR_MENPI ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Patent Database Links US2007224261; WO2005014569 ChEBI

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Analogs ( Draw Identity 99% 90% 80% 70% )