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.

6-Hydroxysugiol

PubChem CID: 12114761

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

Compound Synonyms 6-Hydroxysugiol, (4aS,10R,10aS)-6,10-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one, 55898-07-2, CHEMBL3814903, AKOS040734739, FS-7564
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 57.5
Hydrogen Bond Donor Count 2.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CC2CCCCC2C2CCCCC12
Np Classifier Class Abietane diterpenoids, Podocarpane diterpenoids
Deep Smiles O[C@H]C=O)cccCC)C))ccc6[C@@][C@@H]%10CC)C)CCC6)))))C))))O
Heavy Atom Count 23.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level OC1CC2CCCCC2C2CCCCC12
Classyfire Subclass Diterpenoids
Isotope Atom Count 0.0
Molecular Complexity 483.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 3.0
Iupac Name (4aS,10R,10aS)-6,10-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 5.1
Gsk 4 400 Rule False
Molecular Formula C20H28O3
Scaffold Graph Node Bond Level O=C1CC2CCCCC2c2ccccc21
Prediction Swissadme 0.0
Inchi Key VQGOEQIXFUUUQP-CMKODMSKSA-N
Silicos It Class Moderately soluble
Fcsp3 0.65
Logs -3.479
Rotatable Bond Count 1.0
Logd 1.801
Synonyms 6α-hydroxysugiol
Esol Class Moderately soluble
Functional Groups CO, cC(C)=O, cO
Compound Name 6-Hydroxysugiol
Prediction Hob Swissadme 0.0
Exact Mass 316.204
Formal Charge 0.0
Monoisotopic Mass 316.204
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 316.4
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -5.123077678260869
Inchi InChI=1S/C20H28O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,17-18,21,23H,6-8H2,1-5H3/t17-,18-,20+/m0/s1
Smiles CC(C)C1=C(C=C2C(=C1)C(=O)[C@@H]([C@@H]3[C@@]2(CCCC3(C)C)C)O)O
Nring 3.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Diterpenoids