Mukoenine A
PubChem CID: 5209
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| Compound Synonyms | Mukoenine A, Girinimbilol, 3-methyl-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol, C18H19NO, 3-methyl-1-(3-methylbut-2-en-1-yl)-9h-carbazol-2-ol, 155519-81-6, mukoenine-A, CHEMBL4104856, CHEBI:231986, DTXSID801225132, NSC714338, 2-Hydroxy-3-methyl-1-prenylcarbazole, NSC-714338, 3-Methyl-1-(3-methyl-2-buten-1-yl)-9H-carbazol-2-ol, 3-Methyl-1-(3-methyl-2-butenyl)-9H-carbazol-2-ol, 9CI |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 36.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCCC12 |
| Np Classifier Class | Carbazole alkaloids |
| Deep Smiles | CC=CCccO)cC)ccc6[nH]cc5cccc6)))))))))))))))C |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Indoles and derivatives |
| Description | Alkaloid from stem bark and roots of Murraya koenigii (curryleaf tree). Mukoenine A is found in herbs and spices. |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1CCCCC12 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 374.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyl-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol |
| Class | Indoles and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 5.3 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Carbazoles |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H19NO |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)[nH]c1ccccc12 |
| Inchi Key | PURITTXNCHNYEP-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | 2-Hydroxy-3-methyl-1-prenylcarbazole, 3-Methyl-1-(3-methyl-2-butenyl)-9H-carbazol-2-ol, 9CI, Girinimbilol, 3-Methyl-1-(3-methyl-2-butenyl)-9H-carbazol-2-ol, 9ci, girinimbilol, mukoenine a |
| Esol Class | Moderately soluble |
| Functional Groups | CC=C(C)C, cO, c[nH]c |
| Compound Name | Mukoenine A |
| Kingdom | Organic compounds |
| Exact Mass | 265.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 265.147 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 265.3 |
| 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/C18H19NO/c1-11(2)8-9-14-17-15(10-12(3)18(14)20)13-6-4-5-7-16(13)19-17/h4-8,10,19-20H,9H2,1-3H3 |
| Smiles | CC1=CC2=C(C(=C1O)CC=C(C)C)NC3=CC=CC=C32 |
| 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:https://www.ncbi.nlm.nih.gov/pubmed/16492527