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.

1-Methyl-1-((2R,4aR)-1,2,3,4,4a,5,6,7-octahydro-4a,8-dimethyl-2-naphthalenyl)ethyl 6-deoxy-alpha-L-mannopyranoside

PubChem CID: 11132345

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

ℹ️ Click here to know more about the properties
Compound Synonyms 349112-31-8, 1-Methyl-1-((2R,4aR)-1,2,3,4,4a,5,6,7-octahydro-4a,8-dimethyl-2-naphthalenyl)ethyl 6-deoxy-alpha-L-mannopyranoside, 1-Methyl-1-[(2R,4aR)-1,2,3,4,4a,5,6,7-octahydro-4a,8-dimethyl-2-naphthalenyl]ethyl 6-deoxy-alpha-L-mannopyranoside, CHEMBL477899, DTXSID301108292, 1-Methyl-1-[(2R,4aR)-1,2,3,4,4a,5,6,7-octahydro-4a,8-dimethyl-2-naphthalenyl]ethyl 6-deoxy-I+/--L-mannopyranoside
Topological Polar Surface Area 79.2
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 26.0
Isotope Atom Count 0.0
Molecular Complexity 557.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 7.0
Uniprot Id n.a.
Iupac Name (2S,3R,4R,5R,6S)-2-[2-[(2R,4aR)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-2-yloxy]-6-methyloxane-3,4,5-triol
Prediction Hob 0.0
Xlogp 2.3
Molecular Formula C21H36O5
Prediction Swissadme 1.0
Inchi Key QKXSRJAHTPTJNG-NERVGUTLSA-N
Fcsp3 0.9047619047619048
Logs -4.175
Rotatable Bond Count 3.0
Logd 2.818
Compound Name 1-Methyl-1-((2R,4aR)-1,2,3,4,4a,5,6,7-octahydro-4a,8-dimethyl-2-naphthalenyl)ethyl 6-deoxy-alpha-L-mannopyranoside
Prediction Hob Swissadme 0.0
Exact Mass 368.256
Formal Charge 0.0
Monoisotopic Mass 368.256
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 368.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 7.0
Total Bond Stereocenter Count 0.0
Esol -3.3757868000000006
Inchi InChI=1S/C21H36O5/c1-12-7-6-9-21(5)10-8-14(11-15(12)21)20(3,4)26-19-18(24)17(23)16(22)13(2)25-19/h13-14,16-19,22-24H,6-11H2,1-5H3/t13-,14+,16-,17+,18+,19-,21+/m0/s1
Smiles C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC(C)(C)[C@@H]2CC[C@]3(CCCC(=C3C2)C)C)O)O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Aerides Odorata (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Aglaia Odorata (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Asperula Odorata (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Bergia Odorata (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Blumea Odorata (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Cananga Odorata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Caryopteris Odorata (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Cedrela Odorata (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Chromolaena Odorata (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Dipteryx Odorata (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Gynocardia Odorata (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Hierochloe Odorata (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Hopea Odorata (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Hymenoxys Odorata (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Kyllinga Odorata (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Myrrhis Odorata (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Nymphaea Odorata (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Oenothera Odorata (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Pavonia Odorata (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Persicaria Odorata (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Pluchea Odorata (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Premna Odorata (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Reseda Odorata (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Tarenna Odorata (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Viola Odorata (Plant) Rel Props:Reference:
Back to Browse   Back to Home