Actinidine
PubChem CID: 68231
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Actinidine, 524-03-8, (7S)-4,7-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine, (-)-Actinidine, L-(-)-Actinidine, VWU976C78Y, 5H-Cyclopenta[c]pyridine, 6,7-dihydro-4,7-dimethyl-, (7S)-, (S)-(-)-actidine, UNII-VWU976C78Y, SCHEMBL692365, 5H-2-Pyrindine, 6,7-dihydro-4,7-dimethyl-, (S)-, CHEBI:2443, DTXSID70894115, AKOS028108983, NS00094379, C09910, (S)-6,7-Dihydro-4,7-dimethyl-5H-2-pyrindine, Q343309, (7S)-4,7-dimethyl-5H,6H,7H-cyclopenta[c]pyridine, (S)-4,7-Dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine, (7S)-6,7-Dihydro-4,7-dimethyl-5H-cyclopenta[c]pyridine |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Np Classifier Class | Pyridine alkaloids, Terpenoid alkaloids |
| Deep Smiles | C[C@H]CCcc5cncc6C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Pyridines and derivatives |
| Scaffold Graph Node Level | C1CC2CCNCC2C1 |
| Classyfire Subclass | Methylpyridines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 144.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (7S)-4,7-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H13N |
| Scaffold Graph Node Bond Level | c1cc2c(cn1)CCC2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZHQQRIUYLMXDPP-ZETCQYMHSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.5 |
| Logs | -1.765 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.209 |
| Synonyms | (+)-actinidine, (-)-actinidine, (s)-actinidine, actinidine |
| Esol Class | Soluble |
| Functional Groups | cnc |
| Compound Name | Actinidine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 147.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 147.105 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 147.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.655806563636364 |
| Inchi | InChI=1S/C10H13N/c1-7-3-4-9-8(2)5-11-6-10(7)9/h5-7H,3-4H2,1-2H3/t7-/m0/s1 |
| Smiles | C[C@H]1CCC2=C1C=NC=C2C |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids, Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Nicotinic acid alkaloids, Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Actinidia Arguta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Actinidia Polygama (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Asteracantha Longifolia (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Delphinium Fangshanense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Harungana Madagascariensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699155 - 7. Outgoing r'ship
FOUND_INto/from Nardostachys Jatamansi (Plant) Rel Props:Reference:ISBN:9788172361792 - 8. Outgoing r'ship
FOUND_INto/from Sesamoides Canescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Tecoma Stans (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 10. Outgoing r'ship
FOUND_INto/from Uncaria Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Valeriana Jatamansi (Plant) Rel Props:Reference:ISBN:9788171360536 - 12. Outgoing r'ship
FOUND_INto/from Valeriana Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Vasconcellea Cundinamarcensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all