Mukoline
PubChem CID: 53465569
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| Compound Synonyms | Mukoline, 8-methoxy-9h-carbazole-3-methanol, (8-methoxy-9H-carbazol-3-yl)methanol, CHEBI:171732, 6-Hydroxymethyl-1-methoxycarbazole, DTXSID601299961, 8-Methoxy-9H-carbazole-3-methanol, 9CI, 87264-41-3 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 45.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCCC12 |
| Np Classifier Class | Carbazole alkaloids |
| Deep Smiles | OCcccccc6)cccccc6[nH]9))OC |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Indoles and derivatives |
| Description | Minor alkaloid from roots of Murraya koenigii (curryleaf tree). Mukoline is found in herbs and spices. |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1CCCCC12 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 271.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (8-methoxy-9H-carbazol-3-yl)methanol |
| Class | Indoles and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.5 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Carbazoles |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H13NO2 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)[nH]c1ccccc12 |
| Inchi Key | SGZIASPZRSVPDJ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | 6-Hydroxymethyl-1-methoxycarbazole, 8-Methoxy-9H-carbazole-3-methanol, 9CI, 8-Methoxy-9H-carbazole-3-methanol, 9ci, mukoline |
| Esol Class | Soluble |
| Functional Groups | CO, cOC, c[nH]c |
| Compound Name | Mukoline |
| Kingdom | Organic compounds |
| Exact Mass | 227.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 227.095 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 227.26 |
| 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/C14H13NO2/c1-17-13-4-2-3-10-11-7-9(8-16)5-6-12(11)15-14(10)13/h2-7,15-16H,8H2,1H3 |
| Smiles | COC1=CC=CC2=C1NC3=C2C=C(C=C3)CO |
| 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:9788172360818