Normavacurine
PubChem CID: 11969908
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Normavacurine, NSC634630, NSC-634630 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 28.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC2CCC3C4CCCCC4C4CC1CC2C34 |
| Np Classifier Class | Corynanthe type |
| Deep Smiles | OC[C@H]CCCcn6cccccc6c9CCN%13C/C/%17=C/C |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Pleiocarpaman alkaloids |
| Scaffold Graph Node Level | CC1CN2CCC3C4CCCCC4N4CC1CC2C34 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 490.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(13E,18R)-13-ethylidene-1,11-diazapentacyclo[12.3.1.02,7.08,17.011,16]octadeca-2,4,6,8(17)-tetraen-18-yl]methanol |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 1.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C19H22N2O |
| Scaffold Graph Node Bond Level | C=C1CN2CCc3c4n(c5ccccc35)CC1CC42 |
| Inchi Key | AVWSKQPXKPSIFK-QOTPCBIGSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | normavacurine |
| Esol Class | Soluble |
| Functional Groups | C/C=C(C)C, CN(C)C, CO, cn(c)C |
| Compound Name | Normavacurine |
| Exact Mass | 294.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.173 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 294.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C19H22N2O/c1-2-12-10-20-8-7-14-13-5-3-4-6-16(13)21-18(11-22)15(12)9-17(20)19(14)21/h2-6,15,17-18,22H,7-11H2,1H3/b12-2-/t15?,17?,18-/m0/s1 |
| Smiles | C/C=C\1/CN2CCC3=C4C2CC1[C@@H](N4C5=CC=CC=C35)CO |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Salvadora Persica (Plant) Rel Props:Reference:ISBN:9788172361150 - 2. Outgoing r'ship
FOUND_INto/from Strychnos Potatorum (Plant) Rel Props:Reference:ISBN:9788172361150; ISBN:9788185042145