D-Patchoulene
PubChem CID: 131752045
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| Compound Synonyms | delta-Patchoulene, D-Patchoulene, 11(1->10)-Abeo-1-patchoulene, Q67879833 |
|---|---|
| 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 | C1CC2CC3CCC(C3)C2C1 |
| Np Classifier Class | Patchoulane sesquiterpenoids |
| Deep Smiles | CCCC=CC5CCCCC7C5C)C))C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Polycyclic hydrocarbons |
| Description | Constituent of Pogostemon cablin (patchouli). delta-Patchoulene is found in herbs and spices. |
| Scaffold Graph Node Level | C1CC2CC3CCC(C3)C2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 323.0 |
| Database Name | fooddb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2-ene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H24 |
| Scaffold Graph Node Bond Level | C1=C2C(CC1)CC1CCC2C1 |
| Inchi Key | CGKPYZICXYDFLF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 11(1->10)-Abeo-1-patchoulene, d-Patchoulene, delta-patchoulene |
| Esol Class | Moderately soluble |
| Functional Groups | CC=C(C)C |
| Compound Name | D-Patchoulene |
| 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 | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h6,10-12H,5,7-9H2,1-4H3 |
| Smiles | CC1CC=C2C1CC3CCC2(C3(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 Pogostemon Cablin (Plant) Rel Props:Reference:ISBN:9788185042114