Glycomaurrol
PubChem CID: 13996081
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| Compound Synonyms | Glycomaurrol, 6-methyl-4-(3-methylbut-2-enyl)-9H-carbazol-3-ol, 125287-18-5 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 36.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCCC12 |
| Np Classifier Class | Carbazole alkaloids |
| Deep Smiles | CC=CCccO)cccc6cccC)ccc6[nH]9)))))))))))))))C |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1CCCCC12 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 374.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methyl-4-(3-methylbut-2-enyl)-9H-carbazol-3-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 5.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H19NO |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)[nH]c1ccccc12 |
| Inchi Key | SHNRPNUTQQJVJO-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | glycomaurrol |
| Esol Class | Moderately soluble |
| Functional Groups | CC=C(C)C, cO, c[nH]c |
| Compound Name | Glycomaurrol |
| Exact Mass | 265.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 265.147 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 265.3 |
| 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/C18H19NO/c1-11(2)4-6-13-17(20)9-8-16-18(13)14-10-12(3)5-7-15(14)19-16/h4-5,7-10,19-20H,6H2,1-3H3 |
| Smiles | CC1=CC2=C(C=C1)NC3=C2C(=C(C=C3)O)CC=C(C)C |
| 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 Glycosmis Mauritiana (Plant) Rel Props:Reference:ISBN:9788185042145