(-)-Isokaurene
PubChem CID: 521318
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| Compound Synonyms | (-)-Isokaurene, Kaur-15-ene, Kryptomeren, Isophyllocladene, 5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene, Isokaurane, Isokaurene, Isokauren, 15-Kaurene, Ent-15-Kaurene, Kauren-15-ene, CHEBI:144262, DQUHDYWUEKWRLN-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CCC13CCC(CCC21)C3 |
| Np Classifier Class | Kaurane and Phyllocladane diterpenoids |
| Deep Smiles | CC=CCCC5CCC6CCCC%10))CC)C)CCC6)))))C |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCC2C(C1)CCC13CCC(CCC21)C3 |
| Classyfire Subclass | Diterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 457.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H32 |
| Scaffold Graph Node Bond Level | C1=CC23CCC4CCCCC4C2CCC1C3 |
| Inchi Key | DQUHDYWUEKWRLN-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | isokaurene, isokaurene*, isophyllocladene, kaur-15-ene |
| Esol Class | Moderately soluble |
| Functional Groups | CC=C(C)C |
| Compound Name | (-)-Isokaurene |
| Exact Mass | 272.25 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.25 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 272.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h12,15-17H,5-11,13H2,1-4H3 |
| Smiles | CC1=CC23CCC4C(CCCC4(C2CCC1C3)C)(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Diterpenoids |
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