Mukolidine
PubChem CID: 53465568
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| Compound Synonyms | Mukolidine, 3-formyl-8-methoxycarbazole, 8-methoxy-9H-carbazole-3-carbaldehyde, 6-Formyl-1-methoxycarbazole, CHEBI:178583, KSTPFEFAPRYLOZ-UHFFFAOYSA-N, DTXSID001280691, 8-Methoxy-9H-carbazole-3-carboxaldehyde, 87264-45-7, 8-Methoxy-9H-carbazole-3-carboxaldehyde, 9CI |
|---|---|
| Ghose Rule | True |
| 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)CC1CCCCC12 |
| Np Classifier Class | Carbazole alkaloids |
| Deep Smiles | O=Ccccccc6)cccccc6[nH]9))OC |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Indoles and derivatives |
| Description | Minor alkaloid from roots of Murraya koenigii (curryleaf tree). Mukolidine is found in herbs and spices. |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1CCCCC12 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 294.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-methoxy-9H-carbazole-3-carbaldehyde |
| Class | Indoles and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.8 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Carbazoles |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H11NO2 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)[nH]c1ccccc12 |
| Inchi Key | KSTPFEFAPRYLOZ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | 3-Formyl-8-methoxycarbazole, 6-Formyl-1-methoxycarbazole, 8-Methoxy-9H-carbazole-3-carboxaldehyde, 9CI, Mukolidine, 8-Methoxy-9H-carbazole-3-carboxaldehyde, 9ci, mukolidine |
| Esol Class | Soluble |
| Functional Groups | cC=O, cOC, c[nH]c |
| Compound Name | Mukolidine |
| Kingdom | Organic compounds |
| Exact Mass | 225.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 225.079 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 225.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H11NO2/c1-17-13-4-2-3-10-11-7-9(8-16)5-6-12(11)15-14(10)13/h2-8,15H,1H3 |
| Smiles | COC1=CC=CC2=C1NC3=C2C=C(C=C3)C=O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| 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