Glycozolidal
PubChem CID: 182690
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| Compound Synonyms | Glycozolidal, 2,6-dimethoxy-9H-carbazole-3-carbaldehyde, 9H-Carbazole-3-carbaldehyde, 2,6-dimethoxy-, 51971-09-6, DTXSID50199938, CHEMBL2036045, DTXCID10122429, 2,6-dimethoxy-9h-carbazole-3-carboxaldehyde |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 51.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCCC12 |
| Np Classifier Class | Carbazole alkaloids |
| Deep Smiles | COcccccc6)cccC=O))ccc6[nH]9)))OC |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1CCCCC12 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 335.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2,6-dimethoxy-9H-carbazole-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H13NO3 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)[nH]c1ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WCKFRKXQABCDRE-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.1333333333333333 |
| Logs | -5.367 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.141 |
| Synonyms | glycozolidal |
| Esol Class | Soluble |
| Functional Groups | cC=O, cOC, c[nH]c |
| Compound Name | Glycozolidal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 255.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 255.09 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 255.27 |
| 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 |
| Esol | -3.4887083894736843 |
| Inchi | InChI=1S/C15H13NO3/c1-18-10-3-4-13-12(6-10)11-5-9(8-17)15(19-2)7-14(11)16-13/h3-8,16H,1-2H3 |
| Smiles | COC1=CC2=C(C=C1)NC3=C2C=C(C(=C3)OC)C=O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
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FOUND_INto/from Periploca Sepium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all