10-Bromo-5,12-dihydroindolo[2,3-g]carbazole-2,3-diol
PubChem CID: 71447337
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | bis-indole alkaloid, MLS004774112, CHEMBL2431343, SMR003500777, 10-bromo-5,12-dihydroindolo[2,3-g]carbazole-2,3-diol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 72.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1C2CCC2CC3CCCCC3C21 |
| Np Classifier Class | Carbazole alkaloids, Carboline alkaloids |
| Deep Smiles | Brcccccc6)[nH]cc5cccc6cccO)ccc6[nH]9)))O |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1C2CCC2NC3CCCCC3C21 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 478.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-bromo-5,12-dihydroindolo[2,3-g]carbazole-2,3-diol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 4.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H11BrN2O2 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)[nH]c1c2ccc2[nH]c3ccccc3c21 |
| Inchi Key | TYGUTURXHKSOBP-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | asteropusazole a, bis-indole alkaloid |
| Esol Class | Moderately soluble |
| Functional Groups | cBr, cO, c[nH]c |
| Compound Name | 10-Bromo-5,12-dihydroindolo[2,3-g]carbazole-2,3-diol |
| Exact Mass | 366.0 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 367.2 |
| 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/C18H11BrN2O2/c19-8-1-2-9-10-3-4-12-17(18(10)21-13(9)5-8)11-6-15(22)16(23)7-14(11)20-12/h1-7,20-23H |
| Smiles | C1=CC2=C(C=C1Br)NC3=C2C=CC4=C3C5=CC(=C(C=C5N4)O)O |
| 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 Murraya Paniculata (Plant) Rel Props:Reference:ISBN:9780387706375