(5R,10R)-10-Methyl-6-methylene-2-(propan-2-ylidene)spiro[4.5]dec-7-ene
PubChem CID: 91714783
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| Compound Synonyms | CSRZVTLTICSDRH-HIFRSBDPSA-N, (5R,10R)-10-Methyl-6-methylene-2-(propan-2-ylidene)spiro[4.5]dec-7-ene, Spiro[4.5]dec-7-ene, 10-methyl-6-methylene-2-(1-methylethylidene)-, (5R,10R)-, Spiro[4.5]dec-7-ene, 10-methyl-6-methylene-2-(1-methylethylidene)-, (5R-cis)-, Spiro[4.5]dec-7-ene, 2-isopropylidene-10-methyl-6-methylene-, (5R,10R)-(-)- |
|---|---|
| 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 | CC1CCC2(CCCCC2C)C1 |
| Np Classifier Class | Acorane sesquiterpenoids, Eremophilane sesquiterpenoids |
| Deep Smiles | CC=CCC[C@@]C5)[C@H]C)CC=CC6=C))))))))))C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CCC2(CCCCC2C)C1 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 339.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (5R,6R)-6-methyl-10-methylidene-3-propan-2-ylidenespiro[4.5]dec-8-ene |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H22 |
| Scaffold Graph Node Bond Level | C=C1CCC2(CCC=CC2=C)C1 |
| Inchi Key | CSRZVTLTICSDRH-HIFRSBDPSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | beta-vetispirene, beta-vetispirine, β-vetispirene |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C=CC, CC(C)=C(C)C |
| Compound Name | (5R,10R)-10-Methyl-6-methylene-2-(propan-2-ylidene)spiro[4.5]dec-7-ene |
| Exact Mass | 202.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 202.33 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H22/c1-11(2)14-8-9-15(10-14)12(3)6-5-7-13(15)4/h5-6,13H,3,7-10H2,1-2,4H3/t13-,15+/m1/s1 |
| Smiles | C[C@@H]1CC=CC(=C)[C@@]12CCC(=C(C)C)C2 |
| 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:https://doi.org/10.1080/10412905.2006.9699129