Eudesm-7(11)-en-4-ol
PubChem CID: 6432454
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| Compound Synonyms | Eudesm-7(11)-en-4-ol, Juniper camphor, 1-Naphthalenol, decahydro-1,4a-dimethyl-7-(1-methylethylidene)-, [1R-(1.alpha.,4a.beta.,8a.alpha.)]-, 7(11)-Selinen-4.alpha.-ol, (+)-Selin-7(11)-en-4.alpha.-ol, 1-Naphthalenol, decahydro-1,4a-dimethyl-7-(1-methylethylidene)-, [1S-(1alpha,4abeta,8aalpha)]-, (1S,4aS,8aS)-Decahydro-1,4a-dimethyl-7-(1-methylethylidene)-1-naphthalenol, (+)-Juniper camphor, 1,4a-Dimethyl-7-(1-methylethylidene)decahydro-1-naphthalenol #, STRABSCAWZINIF-FGRDXJNISA-N, 1-Naphthalenol, decahydro-1,4a-dimethyl-7-(1-methylethylidene)-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]-, 186374-63-0 |
|---|---|
| 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 | CC1CCC2CCCCC2C1 |
| Np Classifier Class | Eudesmane sesquiterpenoids |
| Deep Smiles | CC=CCC[C@]CC6)[C@@]C)O)CCC6)))))C)))))C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CCC2CCCCC2C1 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 313.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,4aS)-1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H26O |
| Scaffold Graph Node Bond Level | C=C1CCC2CCCCC2C1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | STRABSCAWZINIF-FGRDXJNISA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8666666666666667 |
| Logs | -2.701 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.161 |
| Synonyms | eudesm-7 (11)-en −4-ol, eudesm-7(11)-en-4-4-ol, eudesm-7(11)-en-4-ol, eudesm-7(11)-en-4-ol, eudesma-7(11)-en-4-ol |
| Esol Class | Soluble |
| Functional Groups | CC(C)=C(C)C, CO |
| Compound Name | Eudesm-7(11)-en-4-ol |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.6694063999999997 |
| Inchi | InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h13,16H,5-10H2,1-4H3/t13?,14-,15-/m0/s1 |
| Smiles | CC(=C1CC[C@@]2(CCC[C@](C2C1)(C)O)C)C |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
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