Murrayacinine
PubChem CID: 102219164
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Murrayacinine, CHEBI:168925, VEZSSHVWEILOAM-UHFFFAOYSA-N, DTXSID701125054, 3,11-Dihydro-3-methyl-3-(4-methyl-3-penten-1-yl)pyrano[3,2-a]carbazole-5-carboxaldehyde, 3,11-Dihydro-3-methyl-3-(4-methyl-3-pentenyl)pyrano[3,2-a]carbazole-5-carboxaldehyde, 9CI, 3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-5-carbaldehyde, 53508-00-2 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 42.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1C3CCCCC3CCC21 |
| Np Classifier Class | Carbazole alkaloids |
| Deep Smiles | O=Ccccccc6OCC)CCC=CC)C)))))C=C6))))))[nH]cc5cccc6 |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1C3CCCOC3CCC21 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 593.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-5-carbaldehyde |
| Class | Indoles and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 5.7 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Carbazoles |
| Gsk 4 400 Rule | False |
| Molecular Formula | C23H23NO2 |
| Scaffold Graph Node Bond Level | C1=Cc2c(ccc3c2[nH]c2ccccc23)OC1 |
| Inchi Key | VEZSSHVWEILOAM-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | 3,11-Dihydro-3-methyl-3-(4-methyl-3-pentenyl)pyrano[3,2-a]carbazole-5-carboxaldehyde, 9ci, AFC, murrayacinine |
| Esol Class | Moderately soluble |
| Functional Groups | CC=C(C)C, cC=CC, cC=O, cOC, c[nH]c |
| Compound Name | Murrayacinine |
| Kingdom | Organic compounds |
| Exact Mass | 345.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 345.173 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 345.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C23H23NO2/c1-15(2)7-6-11-23(3)12-10-18-21-19(13-16(14-25)22(18)26-23)17-8-4-5-9-20(17)24-21/h4-5,7-10,12-14,24H,6,11H2,1-3H3 |
| Smiles | CC(=CCCC1(C=CC2=C(O1)C(=CC3=C2NC4=CC=CC=C43)C=O)C)C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Carbazoles |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172360818