Junenol
PubChem CID: 6452077
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| Compound Synonyms | Junenol, (+)-Junenol, 472-07-1, UNII-Z3209PC5TC, Z3209PC5TC, Eudesm-4(14)-en-6alpha-ol, (1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol, (1S-(1alpha,2beta,4abeta,8aalpha))-Decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1-naphthalenol, (1S,2S,4aR,8aS)-2-Isopropyl-4a-methyl-8-methylenedecahydronaphthalen-1-ol, 1-Naphthalenol, decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-, (1S,2S,4aR,8aS)-, 1-Naphthalenol, decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-, (1S-(1alpha,2beta,4abeta,8aalpha))-, Eudesm-4(14)-en-6.alpha.-ol, DTXSID60963763, 1-NAPHTHALENOL, DECAHYDRO-4A-METHYL-8-METHYLENE-2-(1-METHYLETHYL)-, (1S-(1.ALPHA.,2.BETA.,4A.BETA.,8A.ALPHA.))-, AKOS040749865, Q27294925, 4a-Methyl-8-methylidene-2-(propan-2-yl)decahydronaphthalen-1-ol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2CCCCC12 |
| Np Classifier Class | Eudesmane sesquiterpenoids |
| Deep Smiles | C=CCCC[C@][C@H]6[C@@H]O)[C@@H]CC6))CC)C)))))C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CCCC2CCCCC12 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol |
| Prediction Hob | 0.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H26O |
| Scaffold Graph Node Bond Level | C=C1CCCC2CCCCC12 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MSJJKJCIFIGTJY-LJISPDSOSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8666666666666667 |
| Logs | -4.149 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.413 |
| Synonyms | (+)-junenol, junenol |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CO |
| Compound Name | Junenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.7735063999999996 |
| Inchi | InChI=1S/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h10,12-14,16H,3,5-9H2,1-2,4H3/t12-,13+,14-,15+/m0/s1 |
| Smiles | CC(C)[C@@H]1CC[C@]2(CCCC(=C)[C@@H]2[C@H]1O)C |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Odorata (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199907/08)14:4<219::aid-ffj815>3.0.co;2-%23 - 2. Outgoing r'ship
FOUND_INto/from Artemisia Japonica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.958567 - 3. 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 - 4. Outgoing r'ship
FOUND_INto/from Bursera Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1564381 - 5. Outgoing r'ship
FOUND_INto/from Caesalpinia Decapetala (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.703475 - 6. Outgoing r'ship
FOUND_INto/from Caesalpinia Pulcherrima (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1526124 - 7. Outgoing r'ship
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FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Juniperus Chinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700001 - 13. Outgoing r'ship
FOUND_INto/from Juniperus Communis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
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FOUND_INto/from Solidago Canadensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1271 - 19. Outgoing r'ship
FOUND_INto/from Solidago Virgaurea (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1271 - 20. Outgoing r'ship
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