Murrayanol
PubChem CID: 9975970
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| Compound Synonyms | Murrayanol, 144525-81-5, 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-methoxy-6-methyl-9H-carbazol-2-ol, Murrayanol?, CHEBI:174857, RTEIBQDXHHQYRJ-CXUHLZMHSA-N, DTXSID301019966, AKOS040735809, FS-7579, DA-75815, HY-116933, CS-0066824, 1-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-7-methoxy-6-methyl-9H-carbazol-2-ol |
|---|---|
| Ghose Rule | False |
| 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 | COccc[nH]ccc5cc9C))))cccc6C/C=C/CCC=CC)C)))))C)))))O |
| Heavy Atom Count | 27.0 |
| Classyfire Class | Indoles and derivatives |
| Description | Alkaloid from seeds of Murraya koenigii (curry leaf tree). Murrayanol is found in herbs and spices. |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1CCCCC12 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 551.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-methoxy-6-methyl-9H-carbazol-2-ol |
| Class | Indoles and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 7.2 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Carbazoles |
| Gsk 4 400 Rule | False |
| Molecular Formula | C24H29NO2 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)[nH]c1ccccc12 |
| Inchi Key | RTEIBQDXHHQYRJ-CXUHLZMHSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 6.0 |
| State | Solid |
| Synonyms | Murrayanol?, murrayanol |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=C(/C)C, CC=C(C)C, cO, cOC, c[nH]c |
| Compound Name | Murrayanol |
| Kingdom | Organic compounds |
| Exact Mass | 363.22 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 363.22 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 363.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C24H29NO2/c1-15(2)7-6-8-16(3)9-10-19-22(26)12-11-18-20-13-17(4)23(27-5)14-21(20)25-24(18)19/h7,9,11-14,25-26H,6,8,10H2,1-5H3/b16-9+ |
| Smiles | CC1=CC2=C(C=C1OC)NC3=C2C=CC(=C3C/C=C(\C)/CCC=C(C)C)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 1.0 |
| 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:9788185042145