Murrayazolinine
PubChem CID: 101856126
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| Compound Synonyms | Murrayazolinine, 49620-01-1, 2-(13,16-dimethyl-15-oxa-4-azapentacyclo(14.3.1.02,14.03,11.05,10)icosa-2(14),3(11),5,7,9,12-hexaen-19-yl)propan-2-ol, 2-(13,16-dimethyl-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5,7,9,12-hexaen-19-yl)propan-2-ol, DTXSID101317047, 2-Heptadecyl-5,6-dihydro-4,6,6-trimethyl-4H-1,3-Oxazine, 1,2,3,4,5,13-Hexahydro-a,a,5,7-tetramethyl-1,5-methanooxocino[3,2-a]carbazole-2-methanol, 9CI |
|---|---|
| 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)CC1C2CCC2CC3CCCC(C3)C21 |
| Np Classifier Class | Carbazole alkaloids |
| Deep Smiles | Ccccccc6OCC)CCCC8C6))CO)C)C)))))))))[nH]cc5cccc6 |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CC2CC(C1)C1C(CCC3C4CCCCC4NC31)O2 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 562.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(13,16-dimethyl-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5,7,9,12-hexaen-19-yl)propan-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 4.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C23H27NO2 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)[nH]c1c3c(ccc12)OC1CCCC3C1 |
| Inchi Key | VAFPWCIGDGFJNB-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | murrayazolinine |
| Esol Class | Moderately soluble |
| Functional Groups | CO, cOC, c[nH]c |
| Compound Name | Murrayazolinine |
| Exact Mass | 349.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 349.204 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 349.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C23H27NO2/c1-13-11-15-14-7-5-6-8-18(14)24-20(15)19-16-12-23(4,26-21(13)19)10-9-17(16)22(2,3)25/h5-8,11,16-17,24-25H,9-10,12H2,1-4H3 |
| Smiles | CC1=CC2=C(C3=C1OC4(CCC(C3C4)C(C)(C)O)C)NC5=CC=CC=C52 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
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