3,11-Dihydro-10-methoxy-3,3,5-trimethylpyrano[3,2-a]carbazole
PubChem CID: 14282366
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| Compound Synonyms | 66003-49-4, 3,11-Dihydro-10-methoxy-3,3,5-trimethylpyrano[3,2-a]carbazole |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 34.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1C3CCCCC3CCC21 |
| Np Classifier Class | Carbazole alkaloids |
| Deep Smiles | COcccccc6[nH]cc5cccc6C=CCO6)C)C))))))C |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1C3CCCOC3CCC21 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 460.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 4.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H19NO2 |
| Scaffold Graph Node Bond Level | C1=Cc2c(ccc3c2[nH]c2ccccc23)OC1 |
| Inchi Key | QCPVEYRGEWSJPF-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | mupamine |
| Esol Class | Moderately soluble |
| Functional Groups | cC=CC, cOC, c[nH]c |
| Compound Name | 3,11-Dihydro-10-methoxy-3,3,5-trimethylpyrano[3,2-a]carbazole |
| Exact Mass | 293.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 293.142 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 293.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C19H19NO2/c1-11-10-14-12-6-5-7-15(21-4)17(12)20-16(14)13-8-9-19(2,3)22-18(11)13/h5-10,20H,1-4H3 |
| Smiles | CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=C2C=CC=C4OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Anisata (Plant) Rel Props:Reference:ISBN:9788172362133 - 2. Outgoing r'ship
FOUND_INto/from Glycosmis Pentaphylla (Plant) Rel Props:Reference:ISBN:9788172360818; ISBN:9788185042138