Isolongifolene, 9,10-dehydro-
PubChem CID: 583109
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| Compound Synonyms | Isolongifolene, 9,10-dehydro-, UIPKEVNEOFKIRG-UHFFFAOYSA-N, DTXSID101167349, 67530-11-4, 1,3,4,5-Tetrahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene |
|---|---|
| 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 | C1CCC23CCC(CC2C1)C3 |
| Np Classifier Class | Longifolane sesquiterpenoids |
| Deep Smiles | CCC)CCCCC6=CC=CC6C)C))))))C5 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCC23CCC(CC2C1)C3 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 367.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H22 |
| Scaffold Graph Node Bond Level | C1=CCC23CCC(CC2=C1)C3 |
| Inchi Key | UIPKEVNEOFKIRG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 9,10-dehydro-isolongifolene, 9,10-dehydroisolongifolene, isolongifolene, 9, 10-dehydro |
| Esol Class | Moderately soluble |
| Functional Groups | CC1=CC=CCC1 |
| Compound Name | Isolongifolene, 9,10-dehydro- |
| 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/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-6,8,11H,7,9-10H2,1-4H3 |
| Smiles | CC1(C=CC=C2C13CCC(C3)C2(C)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 Annona Muricata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699288 - 2. Outgoing r'ship
FOUND_INto/from Arctium Lappa (Plant) Rel Props:Reference:https://doi.org/10.22034/ijps.2018.88539.1447