12-nor-Preziza-7(15)-en-2-one
PubChem CID: 6428341
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| Compound Synonyms | 12-nor-Preziza-7(15)-en-2-one, ROIPFIPZYGGKEB-VBCZDQSUSA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC2CCC(C)C23CCC1C3 |
| Np Classifier Class | Prezizaane sesquiterpenoids |
| Deep Smiles | O=CCCC[C@]5CC[C@H]C5)C=C)C7C)C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | CC1CC2CCC(O)C23CCC1C3 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 352.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,8R)-6,6-dimethyl-7-methylidenetricyclo[6.2.1.01,5]undecan-2-one |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H20O |
| Scaffold Graph Node Bond Level | C=C1CC2CCC(=O)C23CCC1C3 |
| Inchi Key | ROIPFIPZYGGKEB-VBCZDQSUSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 12-nor-preziza-7(15)-en |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CC(C)=O |
| Compound Name | 12-nor-Preziza-7(15)-en-2-one |
| Exact Mass | 204.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 204.31 |
| 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 |
| Inchi | InChI=1S/C14H20O/c1-9-10-6-7-14(8-10)11(13(9,2)3)4-5-12(14)15/h10-11H,1,4-8H2,2-3H3/t10-,11?,14-/m1/s1 |
| Smiles | CC1(C2CCC(=O)[C@@]23CC[C@H](C3)C1=C)C |
| 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 Chrysopogon Zizanioides (Plant) Rel Props:Reference:ISBN:9788171360536