trans-Sabinol
PubChem CID: 6429076
Connections displayed (default: 10).
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| Compound Synonyms | trans-Sabinol, (E)-Sabinol, Q67880182 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CC12 |
| Np Classifier Class | Menthane monoterpenoids, Thujane monoterpenoids |
| Deep Smiles | CC[C@@]CC3C=C)[C@@H]C6)O))))))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CCC2CC12 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 207.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,3R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Scaffold Graph Node Bond Level | C=C1CCC2CC12 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MDFQXBNVOAKNAY-XVBQNVSMSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8 |
| Logs | -1.919 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.132 |
| Synonyms | (e)-sabinol, sabinol (trans), trans-sabinol, trans-sabinol+ |
| Esol Class | Very soluble |
| Functional Groups | C=C(C)C, CO |
| Compound Name | trans-Sabinol |
| 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 |
| 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 | -1.8455693999999996 |
| Inchi | InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8-9,11H,3-5H2,1-2H3/t8?,9-,10+/m1/s1 |
| Smiles | CC(C)[C@]12C[C@H](C(=C)C1C2)O |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
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FOUND_INto/from Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150216 - 2. Outgoing r'ship
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FOUND_INto/from Ajania Fruticulosa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643850 - 4. Outgoing r'ship
FOUND_INto/from Aloysia Citriodora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700326 - 5. Outgoing r'ship
FOUND_INto/from Aloysia Gratissima (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700326 - 6. Outgoing r'ship
FOUND_INto/from Altingia Excelsa (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1250 - 7. Outgoing r'ship
FOUND_INto/from Anacardium Occidentale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9699407 - 8. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
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FOUND_INto/from Angelica Cyclocarpa (Plant) Rel Props:Reference: - 12. Outgoing r'ship
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FOUND_INto/from Angelica Furcijuga (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Angelica Genuflexa (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
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FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 29. Outgoing r'ship
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FOUND_INto/from Artemisia Gmelinii (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.987927 - 41. Outgoing r'ship
FOUND_INto/from Artemisia Maritima (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.987927 - 42. Outgoing r'ship
FOUND_INto/from Artemisia Persica (Plant) Rel Props:Reference:ISBN:9788185042145 - 43. Outgoing r'ship
FOUND_INto/from Artemisia Roxburghiana (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199801/02)13:1<40::aid-ffj688>3.0.co;2-z - 44. Outgoing r'ship
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FOUND_INto/from Brucea Javanica (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172362089 - 46. Outgoing r'ship
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FOUND_INto/from Cinnamomum Cassia (Plant) Rel Props:Source_db:npass_chem_all - 91. Outgoing r'ship
FOUND_INto/from Cinnamomum Cecidodaphne (Plant) Rel Props:Reference: - 92. Outgoing r'ship
FOUND_INto/from Cinnamomum Glanduliferum (Plant) Rel Props:Reference: - 93. Outgoing r'ship
FOUND_INto/from Cinnamomum Glaucescens (Plant) Rel Props:Reference: - 94. Outgoing r'ship
FOUND_INto/from Cinnamomum Impressinervium (Plant) Rel Props:Reference: - 95. Outgoing r'ship
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FOUND_INto/from Cinnamomum Kotoense (Plant) Rel Props:Reference: - 97. Outgoing r'ship
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FOUND_INto/from Cinnamomum Malabathrum (Plant) Rel Props:Reference: - 99. Outgoing r'ship
FOUND_INto/from Cinnamomum Obtusifolium (Plant) Rel Props:Reference: - 100. Outgoing r'ship
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FOUND_INto/from Juniperus Indica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701041 - 136. Outgoing r'ship
FOUND_INto/from Juniperus Phoenicea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9699410 - 137. Outgoing r'ship
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FOUND_INto/from Litsea Cubeba (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2013.775081 - 142. Outgoing r'ship
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FOUND_INto/from Origanum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699865 - 150. Outgoing r'ship
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FOUND_INto/from Tanacetum Dolichophyllum (Plant) Rel Props:Reference:ISBN:9788185042145 - 164. Outgoing r'ship
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FOUND_INto/from Tanacetum Nubigenum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643659 - 166. Outgoing r'ship
FOUND_INto/from Tanacetum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701169 - 167. Outgoing r'ship
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