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.

Spruceanol

PubChem CID: 155764

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

ℹ️ Click here to know more about the properties
Compound Synonyms Spruceanol, 72963-56-5, (2R,4aR,10aS)-8-ethenyl-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol, NSC 312885, 3alpha,12-Hydroxy-cleistanth-8,11,13,15-tetraene, CHEBI:9244, NSC-312885, (2R,4aR,10aS)-1,1,4a,7-tetramethyl-8-vinyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol, 2,6-Phenanthrenediol, 8-ethenyl-1,2,3,4,4a,9,10,10a-octahydro-1,1,4a,7-tetramethyl-, (2R-(2alpha,4aalpha,10abeta))-, CHEMBL451294, DTXSID30993734, NSC784479, NSC-784479, C09188, Q27108333, 14-Ethenyl-13-methylpodocarpa-8(14),9(11),12-triene-3,12-diol
Topological Polar Surface Area 40.5
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 22.0
Isotope Atom Count 0.0
Molecular Complexity 443.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 3.0
Iupac Name (2R,4aR,10aS)-8-ethenyl-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol
Prediction Hob 1.0
Xlogp 5.2
Molecular Formula C20H28O2
Prediction Swissadme 0.0
Inchi Key KNSRUHGNXCWGHF-GGPKGHCWSA-N
Fcsp3 0.6
Logs -4.493
Rotatable Bond Count 1.0
Logd 3.579
Compound Name Spruceanol
Prediction Hob Swissadme 0.0
Exact Mass 300.209
Formal Charge 0.0
Monoisotopic Mass 300.209
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 300.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 0.0
Esol -5.114558581818182
Inchi InChI=1S/C20H28O2/c1-6-13-12(2)16(21)11-15-14(13)7-8-17-19(3,4)18(22)9-10-20(15,17)5/h6,11,17-18,21-22H,1,7-10H2,2-5H3/t17-,18-,20+/m1/s1
Smiles CC1=C(C=C2C(=C1C=C)CC[C@H]3[C@]2(CC[C@H](C3(C)C)O)C)O
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Canavalia Virosa (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Cicuta Virosa (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Dalbergia Spruceana (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Fluegga Virosa (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Flueggea Leucopyrus (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Flueggea Microcarpa (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Flueggea Suffruticosa (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Flueggea Virosa (Plant) Rel Props:Source_db:npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Lactuca Virosa (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Nasturtium Indicum (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Nasturtium Officinale (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Rorippa Dubia (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Rorippa Indica (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Rorippa Islandica (Plant) Rel Props:Reference:
Back to Browse   Back to Home