L-Camphor

ID: ALA2252949

Chembl Id: CHEMBL2252949

Cas Number: 464-48-2

PubChem CID: 444294

Product Number: S47381

Max Phase: Preclinical

Molecular Formula: C10H16O

Molecular Weight: 152.24

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC1(C)[C@H]2CC[C@]1(C)C(=O)C2

Standard InChI:  InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m0/s1

Standard InChI Key:  DSSYKIVIOFKYAU-OIBJUYFYSA-N

Alternative Forms

1. Parent:

   

   ALA2252949

   (-)-CAMPHOR

Molecule Features

Natural Product: Yes

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 152.24

Molecular Weight (Monoisotopic): 152.1201

AlogP: 2.40

#Rotatable Bonds: 0

Polar Surface Area: 17.07

Molecular Species: NEUTRAL

HBA: 1

HBD: 0

#RO5 Violations: 0

HBA (Lipinski): 1

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa:

CX LogP: 2.55

CX LogD: 2.55

Aromatic Rings: 0

Heavy Atoms: 11

QED Weighted: 0.52

Np Likeness Score: 2.07

References

1. Scott S. Auerbach, DrugMatrix¨ and ToxFX¨ Coordinator National Toxicology Program. DrugMatrix in vitro pharmacology data, 

2. Tabanca N, Demirci B, Baser KH, Aytac Z, Ekici M, Khan SI, Jacob MR, Wedge DE..  (2006)  Chemical composition and antifungal activity of Salvia macrochlamys and Salvia recognita essential oils.,  54  (18): [PMID:16939314] [10.1021/jf0608773]

3. PubChem BioAssay data set, 

4. DrugMatrix,  [10.6019/CHEMBL3885881]

Source

Source(3):

• Scientific Literature
• PubChem BioAssays
• DrugMatrix