7-Methoxy-9H-pyrido[3,4-b]indole
PubChem CID: 9815570
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| Compound Synonyms | 7-Methoxy-9H-pyrido[3,4-b]indole, NORHARMINE, 6253-19-6, PVU54KD9C5, 7-Methoxy-9H-pyrido(3,4-b)indole, 9H-Pyrido(3,4-b)indole, 7-methoxy-, UNII-PVU54KD9C5, CHEMBL6470, SCHEMBL4823690, DTXSID30431161, PD183149, DB-350837, CS-0062554, D73237, Q15425761 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCCC12 |
| Np Classifier Class | Carboline alkaloids |
| Deep Smiles | COcccccc6)[nH]cc5ccnc6 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1CNCCC12 |
| Classyfire Subclass | Pyridoindoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 234.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-9H-pyrido[3,4-b]indole |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H10N2O |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)[nH]c1cnccc12 |
| Inchi Key | LMDPJJFWLNRVEH-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | norharmine, norharmine(7-methoxy-β-carboline) |
| Esol Class | Soluble |
| Functional Groups | cOC, c[nH]c, cnc |
| Compound Name | 7-Methoxy-9H-pyrido[3,4-b]indole |
| Exact Mass | 198.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.079 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 198.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H10N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-7,14H,1H3 |
| Smiles | COC1=CC2=C(C=C1)C3=C(N2)C=NC=C3 |
| 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 Peganum Harmala (Plant) Rel Props:Reference:ISBN:9788172360818