Ishwarane
PubChem CID: 14619932
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| Compound Synonyms | Ishwarane, Ishwaran, (-)-Ishwarane, (1R,1aR,2aS,6R,6aS,7aS)-1,6,6a-Trimethyldecahydro-1,2a-methanocyclopropa[b]naphthalene, 1,2a-Methano-2aH-cyclopropa[b]naphthalene, decahydro-1,6,6a-trimethyl-, [1R-(1.alpha.,1a.beta.,2a.alpha.,6.beta.,6a.beta.,7a.alpha.)]-, 5,6,9-trimethyltetracyclo(7.2.1.01,6.08,10)dodecane, 5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecane, (1R,1aR,2aS,6R,6aS,7aS)-1,6,6a-Trimethyldecahydro-1,2a-methanocyclopropa(b)naphthalene, 1,2a-Methano-2aH-cyclopropa(b)naphthalene, decahydro-1,6,6a-trimethyl-, (1R-(1alpha,1abeta,2aalpha,6beta,6abeta,7aalpha))-, 26620-70-2 |
|---|---|
| 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 | C1CCC23CC4C(CC2C1)C4C3 |
| Np Classifier Class | Ishwarane sesquiterpenoids |
| Deep Smiles | CCCCCCC6C)CCCC6)C3C7)C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCC23CC4C(CC2C1)C4C3 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 333.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecane |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H24 |
| Scaffold Graph Node Bond Level | C1CCC23CC4C(CC2C1)C4C3 |
| Inchi Key | XGEWXQPYPMTSBD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | ishwarane, lshwarane |
| Esol Class | Moderately soluble |
| Compound Name | Ishwarane |
| 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 | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H24/c1-10-5-4-6-15-8-12-11(7-14(10,15)3)13(12,2)9-15/h10-12H,4-9H2,1-3H3 |
| Smiles | CC1CCCC23C1(CC4C(C2)C4(C3)C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
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