Pyrano[3,2-a]carbazole-3-butanol, 3,11-dihydro-alpha,alpha,3,5-tetramethyl-
PubChem CID: 131750980
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| Compound Synonyms | 30048-24-9, Mahanimbinine, Pyrano(3,2-a)carbazole-3-butanol, 3,11-dihydro-alpha,alpha,3,5-tetramethyl-, Pyrano[3,2-a]carbazole-3-butanol, 3,11-dihydro-alpha,alpha,3,5-tetramethyl-, DTXSID901162155, Pyrano[3,2-a]carbazole-3-butanol, 3,11-dihydro-I+/-,I+/-,3,5-tetramethyl- |
|---|---|
| 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 | Ccccccc6OCC)CCCCO)C)C)))))C=C6))))))[nH]cc5cccc6 |
| 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 | 544.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl)-2-methylpentan-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 | C23H27NO2 |
| Scaffold Graph Node Bond Level | C1=Cc2c(ccc3c2[nH]c2ccccc23)OC1 |
| Inchi Key | ZMSFODUWJLWJOE-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | mahanimbinine |
| Esol Class | Moderately soluble |
| Functional Groups | CO, cC=CC, cOC, c[nH]c |
| Compound Name | Pyrano[3,2-a]carbazole-3-butanol, 3,11-dihydro-alpha,alpha,3,5-tetramethyl- |
| Kingdom | Organic compounds |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C23H27NO2/c1-15-14-18-16-8-5-6-9-19(16)24-20(18)17-10-13-23(4,26-21(15)17)12-7-11-22(2,3)25/h5-6,8-10,13-14,24-25H,7,11-12H2,1-4H3 |
| Smiles | CC1=CC2=C(C3=C1OC(C=C3)(C)CCCC(C)(C)O)NC4=CC=CC=C42 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Carbazoles |
| Np Classifier Superclass | Tryptophan alkaloids |
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FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference:ISBN:9770972795006