Teresantalol
PubChem CID: 578221
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| Compound Synonyms | Teresantalol, 29550-55-8, (2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)methanol, Tricyclo[2.2.1.0(2,6)]heptane-3-methanol, 2,3-dimethyl-, {2,3-dimethyltricyclo[2.2.1.0^{2,6}]heptan-3-yl}methanol, Tricyclo[2.2.1.0(2,6)]heptane-3-methanol, 2,3-dimethyl-, stereoisomer, (2,3-dimethyl-3-tricyclo(2.2.1.02,6)heptanyl)methanol, (2,3-dimethyltricyclo(2.2.1.0^(2,6))heptan-3-yl)methanol, Tricyclo(2.2.1.0(2,6))heptane-3-methanol, 2,3-dimethyl-, Tricyclo(2.2.1.0(2,6))heptane-3-methanol, 2,3-dimethyl-, stereoisomer, 10-hydroxytricyclene, 2,3-Dimethyltricyclo[2.2.1.02,6]heptane-3-methanol, CHEBI:171962, DTXSID101317859, AKOS024262936, 2,3-Dimethyl-Tricyclo[2.2.1.0(2,6)]heptane-3-methanol, 2,3-Dimethyltricyclo[2.2.1.02,6]heptane-3-methanol, 9CI |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1C2CC3C1C3C2 |
| Np Classifier Class | Santalane sesquiterpenoids |
| Deep Smiles | OCCC)CCCC5C)C3C6 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Description | Flavouring ingredient. Constituent of Indian sandalwood oil (Santalum album) |
| Scaffold Graph Node Level | C1C2CC3C1C3C2 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 211.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)methanol |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Scaffold Graph Node Bond Level | C1C2CC3C1C3C2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZWUWJJHLJNLVDD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -4.351 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 2.414 |
| Synonyms | 2,3-Dimethyl-tricyclo[2.2.1.0(2,6)]heptane-3-methanol, 2,3-Dimethyltricyclo[2.2.1.02,6]heptane-3-methanol, 9CI, Tricyclo[2.2.1.0(2,6)]heptane-3-methanol, 2,3-dimethyl-, 2,3-Dimethyltricyclo[2.2.1.02,6]heptane-3-methanol, 9ci, teresantalol |
| Esol Class | Very soluble |
| Functional Groups | CO |
| Compound Name | Teresantalol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -1.9904694 |
| Inchi | InChI=1S/C10H16O/c1-9(5-11)6-3-7-8(4-6)10(7,9)2/h6-8,11H,3-5H2,1-2H3 |
| Smiles | CC1(C2CC3C1(C3C2)C)CO |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Bicyclic monoterpenoids |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Robinia Pseudoacacia (Plant) Rel Props:Reference:ISBN:9788185042145 - 2. Outgoing r'ship
FOUND_INto/from Santalum Album (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all