(+)-Norpatchoulenol
PubChem CID: 6451732
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (+)-Norpatchoulenol, Norpatchoulenol, 41429-52-1, (1R-(1alpha,4aalpha,6beta,8aalpha))-4a,5,6,7,8,8a-Hexahydro-8a,9,9-trimethyl-1,6-methanonaphthalen-1(2H)-ol, 1,6-Methanonaphthalen-1(2H)-ol, 4a,5,6,7,8,8a-hexahydro-8a,9,9-trimethyl-, (1R-(1alpha,4aalpha,6beta,8aalpha))-, (1S,3R,7R,8R)-2,2,8-trimethyltricyclo[5.3.1.03,8]undec-5-en-3-ol, SCHEMBL4935856, DTXSID90961676 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CC3CCC2C(C1)C3 |
| Np Classifier Class | Patchoulane sesquiterpenoids |
| Deep Smiles | CCC)[C@H]CC[C@][C@@]6O)CC=C[C@H]6C%10))))))C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CC2CC3CCC2C(C1)C3 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 330.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,3R,7R,8R)-2,2,8-trimethyltricyclo[5.3.1.03,8]undec-5-en-3-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 3.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H22O |
| Scaffold Graph Node Bond Level | C1=CC2CC3CCC2C(C1)C3 |
| Inchi Key | OSQSDJNIURJARY-CDGCEXEKSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | norpatchoulenol |
| Esol Class | Soluble |
| Functional Groups | CC=CC, CO |
| Compound Name | (+)-Norpatchoulenol |
| Exact Mass | 206.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 206.32 |
| Gi Absorption | True |
| 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/C14H22O/c1-12(2)10-6-8-13(3)11(9-10)5-4-7-14(12,13)15/h4-5,10-11,15H,6-9H2,1-3H3/t10-,11-,13+,14+/m0/s1 |
| Smiles | C[C@@]12CC[C@H]3C[C@@H]1C=CC[C@]2(C3(C)C)O |
| 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 Heracleum Canescens (Plant) Rel Props:Reference:ISBN:9770972795006 - 2. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730050211