This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Cedr-8-en-13-ol

PubChem CID: 519545

Connections displayed (default: 10).
Loading graph...

Compound Synonyms 8-cedren-13-ol, Cedr-8-en-13-ol, Cedren-13-ol, 8-, 8-Cedrene-13-ol, SCHEMBL8738320, PPTXKCYXNDLKTQ-UHFFFAOYSA-N, Cedr-8-en-13-ol, (-)-, Q67879655
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CC2CC3CCCC3(C1)C2
Np Classifier Class Cedrane and Isocedrane sesquiterpenoids
Deep Smiles OCCC)CCCC5CCC5C)))))CC=C6C
Heavy Atom Count 16.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level C1CC2CC3CCCC3(C1)C2
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 345.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (2,6,8-trimethyl-6-tricyclo[5.3.1.01,5]undec-8-enyl)methanol
Prediction Hob 0.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 3.4
Gsk 4 400 Rule True
Molecular Formula C15H24O
Scaffold Graph Node Bond Level C1=CC2CC3CCCC3(C1)C2
Prediction Swissadme 1.0
Inchi Key PPTXKCYXNDLKTQ-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.8666666666666667
Logs -3.762
Rotatable Bond Count 1.0
Logd 3.32
Synonyms 8-cedren-13-ol, cedr-8-en-13-ol, cedren-13-ol, 8-, cedren-13-ol-8
Esol Class Soluble
Functional Groups CC=C(C)C, CO
Compound Name Cedr-8-en-13-ol
Prediction Hob Swissadme 0.0
Exact Mass 220.183
Formal Charge 0.0
Monoisotopic Mass 220.183
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 220.35
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -3.2759072
Inchi InChI=1S/C15H24O/c1-10-6-7-15-8-12(10)14(3,9-16)13(15)5-4-11(15)2/h6,11-13,16H,4-5,7-9H2,1-3H3
Smiles CC1CCC2C13CC=C(C(C3)C2(C)CO)C
Nring 3.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Sesquiterpenoids