Mahanine
PubChem CID: 36689305
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| Compound Synonyms | Mahanine, 28360-49-8, (-)-Mahanin, (R)-3,5-Dimethyl-3-(4-methylpent-3-en-1-yl)-3,11-dihydropyrano[3,2-a]carbazol-9-ol, (-)-Mahanine, (3R)-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazol-9-ol, Mahanine, (-)-, KBJ2W7E9BH, SCHEMBL18317471, DTXSID701318055, GLXC-03236, EX-A7585, AKOS026670251, HY-121368, CS-0081809, (3R)-3,11-Dihydro-3,5-dimethyl-3-(4-methyl-3-penten-1-yl)pyrano[3,2-a]carbazol-9-ol, (3R)-3,5-DIMETHYL-3-(4-METHYLPENT-3-EN-1-YL)-11H-PYRANO[3,2-A]CARBAZOL-9-OL, Pyrano[3,2-a]carbazol-9-ol, 3,11-dihydro-3,5-dimethyl-3-(4-methyl-3-pentenyl)-, (R)-, Pyrano[3,2-a]carbazol-9-ol, 3,11-dihydro-3,5-dimethyl-3-(4-methyl-3-penten-1-yl)-, (3R)- |
|---|---|
| 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)CC1C3CCCCC3CCC21 |
| Np Classifier Class | Carbazole alkaloids |
| Deep Smiles | CC=CCC[C@]C)C=CccO6)cC)ccc6[nH]cc5cccc6)O)))))))))))))))))))C |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1C3CCCOC3CCC21 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 581.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazol-9-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 6.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C23H25NO2 |
| Scaffold Graph Node Bond Level | C1=Cc2c(ccc3c2[nH]c2ccccc23)OC1 |
| Inchi Key | DWMBXHWBPZZCTN-HSZRJFAPSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | mahanine |
| Esol Class | Poorly soluble |
| Functional Groups | CC=C(C)C, cC=CC, cO, cOC, c[nH]c |
| Compound Name | Mahanine |
| Exact Mass | 347.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 347.189 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 347.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C23H25NO2/c1-14(2)6-5-10-23(4)11-9-18-21-19(12-15(3)22(18)26-23)17-8-7-16(25)13-20(17)24-21/h6-9,11-13,24-25H,5,10H2,1-4H3/t23-/m1/s1 |
| Smiles | CC1=CC2=C(C3=C1O[C@](C=C3)(C)CCC=C(C)C)NC4=C2C=CC(=C4)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| 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