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Myrtenol, (-)-

PubChem CID: 88301

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Compound Synonyms (-)-Myrtenol, 19894-97-4, Myrtenol, (-)-, (1R)-(-)-Myrtenol, UNII-S1B8392IQY, (1R)-Myrthenol, L-MYRTENOL, Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, (1R,5S)-, EINECS 243-409-1, MFCD00001341, [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol, (1R,5S)-MYRTENOL, S1B8392IQY, DTXSID30173670, [(1R,5S)-6,6-DIMETHYLBICYCLO[3.1.1]HEPT-2-EN-2-YL]METHANOL, (1R)-6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-methanol, 2-PINEN-10-OL, (1R,5S)-(-)-, (1R)-2-Pinen-10-ol, (1R)-6,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-methanol, ((1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methanol, BICYCLO(3.1.1)HEPT-2-ENE-2-METHANOL, 6,6-DIMETHYL-, (1R)-, BICYCLO(3.1.1)HEPT-2-ENE-2-METHANOL, 6,6-DIMETHYL-, (1R,5S)-, pin-2-ene-10-ol, FEMA No. 3439, MYRTHENOL, (-)-Myrtenol,97, MYRTHENOL [FHFI], 6,6-dimethyl-2-oxymethylbicyclo(1.1.3)hept-2-ene, Myrtenol, >=95%, FG, SCHEMBL820534, DTXCID3096161, RXBQNMWIQKOSCS-IUCAKERBSA-N, (-)-Myrtenol, analytical standard, (1R)-(-)-Myrtenol, 95%, HY-N8829, AKOS015913155, FM67625, BS-32038, CS-0149141, EN300-33972, Q27288443, ((1R*,5S*)-6,6-Dimethyl-bicyclo[3.1.1]hept-2-en-2-yl)-methanol, 243-409-1
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 11.0
Isotope Atom Count 0.0
Molecular Complexity 203.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
Prediction Hob 1.0
Xlogp 1.6
Molecular Formula C10H16O
Prediction Swissadme 1.0
Inchi Key RXBQNMWIQKOSCS-IUCAKERBSA-N
Fcsp3 0.8
Logs -1.797
Rotatable Bond Count 1.0
Logd 3.048
Compound Name Myrtenol, (-)-
Prediction Hob Swissadme 1.0
Exact Mass 152.12
Formal Charge 0.0
Monoisotopic Mass 152.12
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 152.23
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -2.7464694
Inchi InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3/t8-,9-/m0/s1
Smiles CC1([C@H]2CC=C([C@@H]1C2)CO)C
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Arachis Hypogaea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Artemisia Apiacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Chrysanthemum Morifolium (Plant) Rel Props:Source_db:npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Chrysanthemum Zawadskii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Elettaria Cardamomum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Laggera Pterodonta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Platycladus Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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