Epsilon-Muurolene
PubChem CID: 520461
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| Compound Synonyms | epsilon-Muurolene, .epsilon.-Muurolene, 4,7-dimethylidene-1-propan-2-yl-1,2,3,4a,5,6,8,8a-octahydronaphthalene, 1136-29-4, Naphthalene, decahydro-1,6-bis(methylene)-4-(1-methylethyl)-, (4.alpha.,4a.alpha.,8a.alpha.)-, 1,6-dimethylidene-4-(propan-2-yl)-decahydronaphthalene, [4S,4abeta,8abeta,(+)]-Decahydro-1,6-bis(methylene)-4-isopropylnaphthalene, e-Muurolene, 4-Isopropyl-1,6-dimethylenedecahydronaphthalene #, Q67879871, Naphthalene, decahydro-1,6-bis(methylene)-4-(1-methylethyl)-, (4alpha,4aalpha,8aalpha)-, 30021-46-6 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2C(C)CCCC2C1 |
| Np Classifier Class | Cadinane sesquiterpenoids |
| Deep Smiles | C=CCCCCC6)CCCC6=C))))CC)C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Prenol lipids |
| Description | Constituent of the oil of Mentha piperita. epsilon-Bulgarene is found in herbs and spices. |
| Scaffold Graph Node Level | CC1CCC2C(C)CCCC2C1 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 272.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,7-dimethylidene-1-propan-2-yl-1,2,3,4a,5,6,8,8a-octahydronaphthalene |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H24 |
| Scaffold Graph Node Bond Level | C=C1CCC2C(=C)CCCC2C1 |
| Inchi Key | NOLWRMQDWRAODO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | (-)-epsilon-Bulgarene, e-Bulgarene, Acid Blue 193, Decahydro-1,6-bis(methylene)-4-(1-methylethyl)naphthalene, 9CI, Decahydro-4-isopropyl-1,6-dimethylenenaphthalene, e-Cadinene, e-Muurolene, e-muurolene |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C |
| Compound Name | Epsilon-Muurolene |
| Kingdom | Organic compounds |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10,13-15H,3-9H2,1-2H3 |
| Smiles | CC(C)C1CCC(=C)C2C1CC(=C)CC2 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Sesquiterpenoids |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Laurus Nobilis (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199703)12:2<91::aid-ffj623>3.0.co;2-3 - 2. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference:ISBN:9788172362461