[(1R,9R,10R,12R,19S,20R)-20-methyl-8,16-diazahexacyclo[10.6.1.19,12.01,9.02,7.016,19]icosa-2,4,6,13-tetraen-10-yl]methanol
PubChem CID: 101287751
Connections displayed (default: 10).
Loading graph...
| Ghose Rule | True |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC13CCC4(CCCC5CCC21C54)C3 |
| Np Classifier Class | Aspidosperma type |
| Deep Smiles | OC[C@@H]C[C@@][C@H][C@@]5Ncc[C@]5[C@H]8NCC5))CC=C%12))))))cccc6))))))))C |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)NC13CCC4(CCCN5CCC21C54)C3 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 590.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | [(1R,9R,10R,12R,19S,20R)-20-methyl-8,16-diazahexacyclo[10.6.1.19,12.01,9.02,7.016,19]icosa-2,4,6,13-tetraen-10-yl]methanol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C20H24N2O |
| Scaffold Graph Node Bond Level | C1=CC23CCC4(C2)Nc2ccccc2C42CCN(C1)C32 |
| Inchi Key | GDTCUJQHGGXGJM-RHOFUAETSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | vindolininol |
| Esol Class | Soluble |
| Functional Groups | CC=CC, CN(C)C, CO, cNC |
| Compound Name | [(1R,9R,10R,12R,19S,20R)-20-methyl-8,16-diazahexacyclo[10.6.1.19,12.01,9.02,7.016,19]icosa-2,4,6,13-tetraen-10-yl]methanol |
| Exact Mass | 308.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.189 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 308.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H24N2O/c1-13-18-7-4-9-22-10-8-19(17(18)22)15-5-2-3-6-16(15)21-20(13,19)14(11-18)12-23/h2-7,13-14,17,21,23H,8-12H2,1H3/t13-,14+,17+,18+,19-,20-/m1/s1 |
| Smiles | C[C@@H]1[C@]23C[C@H]([C@@]14[C@@]5([C@H]2N(CC5)CC=C3)C6=CC=CC=C6N4)CO |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Catharanthus Roseus (Plant) Rel Props:Reference:https://doi.org/10.1093/database/bav075