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.

Leucophleol

PubChem CID: 15488960

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

Compound Synonyms Leucophleol, (1R)-1-[(2R,4aS,4bS,5R,8aS)-5-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol, 77063-89-9
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 60.7
Hydrogen Bond Donor Count 3.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC2C(C1)CCC1CCCCC12
Np Classifier Class Pimarane and Isopimarane diterpenoids
Deep Smiles OC[C@@H][C@]C)CC[C@H]C=C6)CC[C@@H][C@]6C)[C@H]O)CCC6C)C))))))))))))))O
Heavy Atom Count 23.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level C1CCC2C(C1)CCC1CCCCC12
Classyfire Subclass Diterpenoids
Isotope Atom Count 0.0
Molecular Complexity 497.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 6.0
Iupac Name (1R)-1-[(2R,4aS,4bS,5R,8aS)-5-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 3.2
Gsk 4 400 Rule True
Molecular Formula C20H34O3
Scaffold Graph Node Bond Level C1=C2CCC3CCCCC3C2CCC1
Prediction Swissadme 1.0
Inchi Key QMPZNDBIBKPBLS-QTGPRJIVSA-N
Silicos It Class Soluble
Fcsp3 0.9
Logs -4.261
Rotatable Bond Count 2.0
Logd 2.974
Synonyms leucophleol
Esol Class Soluble
Functional Groups CC(C)=CC, CO
Compound Name Leucophleol
Prediction Hob Swissadme 1.0
Exact Mass 322.251
Formal Charge 0.0
Monoisotopic Mass 322.251
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 322.5
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 6.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -3.7234317999999997
Inchi InChI=1S/C20H34O3/c1-18(2)9-8-16(22)20(4)14-7-10-19(3,17(23)12-21)11-13(14)5-6-15(18)20/h11,14-17,21-23H,5-10,12H2,1-4H3/t14-,15-,16+,17-,19+,20+/m0/s1
Smiles C[C@]1(CC[C@H]2C(=C1)CC[C@@H]3[C@@]2([C@@H](CCC3(C)C)O)C)[C@H](CO)O
Nring 3.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Diterpenoids