Lindelofidine
PubChem CID: 11126361
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| Compound Synonyms | Lindelofidine, (+/-)-Isoretronecanol, Isoretronecanol, (+/-)-, (+)-Lindelofidine, (+)-Isoretronecanol, Isoretronecanol, (+)-, B8448092FP, 488-06-2, UNII-B8448092FP, 1H-Pyrrolizine-1-methanol, hexahydro-, trans-, 724IZ218GL, 1H-Pyrrolizine-1-methanol, hexahydro-, (1R,7aR)-rel-, 18929-90-3, 1H-Pyrrolizine-1-methanol, hexahydro-, (1R,7aR)-, 1H-Pyrrolizine-1-methanol, hexahydro-, (1R-trans)-, UNII-724IZ218GL |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 23.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCCC2C1 |
| Np Classifier Class | Indolizidine alkaloids, Quinolizidine alkaloids |
| Deep Smiles | OC[C@@H]CCN[C@@H]5CCC5 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Pyrrolizidines |
| Scaffold Graph Node Level | C1CC2CCCN2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 126.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H15NO |
| Scaffold Graph Node Bond Level | C1CC2CCCN2C1 |
| Inchi Key | LOFDEIYZIAVXHE-JGVFFNPUSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | lindelofidine |
| Esol Class | Very soluble |
| Functional Groups | CN(C)C, CO |
| Compound Name | Lindelofidine |
| Exact Mass | 141.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 141.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 141.21 |
| Gi Absorption | True |
| 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/C8H15NO/c10-6-7-3-5-9-4-1-2-8(7)9/h7-8,10H,1-6H2/t7-,8+/m0/s1 |
| Smiles | C1C[C@@H]2[C@@H](CCN2C1)CO |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Heliotropium Indicum (Plant) Rel Props:Reference:https://doi.org/10.1093/database/bav075