Picrasidine O
PubChem CID: 5320558
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Picrasidine O, 101219-63-0, 4-methoxy-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,7,9(16),10,12,14-hexaene-2,3-dione, 4-Methoxy-3-methyl-3H-indolo[3,2,1-de][1,5]naphthyridine-5,6-dione, 4-methoxy-6-methyl-1,6-diazatetracyclo(7.6.1.05,16.010,15)hexadeca-4,7,9(16),10,12,14-hexaene-2,3-dione, MLS000575003, CHEMBL1700463, SCHEMBL23917740, HMS2268A14, SMR001215945 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 51.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC2CCCC3C4CCCCC4C(C1C)C23 |
| Np Classifier Class | Quinoline alkaloids |
| Deep Smiles | COcc-ccccn6C))))ccn5c=O)c9=O))))cccc6 |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Indolonaphthyridine alkaloids |
| Scaffold Graph Node Level | OC1CC2NCCC3C4CCCCC4N(C1O)C23 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 580.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P11473, P17405, P63092, P18031 |
| Iupac Name | 4-methoxy-6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-4,7,9(16),10,12,14-hexaene-2,3-dione |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 2.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H12N2O3 |
| Scaffold Graph Node Bond Level | O=c1cc2[nH]ccc3c-2n(c1=O)c1ccccc31 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HPAUUBGCMSMJQK-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.125 |
| Logs | -4.084 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.693 |
| Synonyms | picrasidine o |
| Esol Class | Soluble |
| Functional Groups | c=O, cOC, cn(c)C, cn(c)c |
| Compound Name | Picrasidine O |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.085 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 280.28 |
| 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 | -5.168864123809524 |
| Inchi | InChI=1S/C16H12N2O3/c1-17-8-7-10-9-5-3-4-6-11(9)18-12(10)13(17)15(21-2)14(19)16(18)20/h3-8H,1-2H3 |
| Smiles | CN1C=CC2=C3C1=C(C(=O)C(=O)N3C4=CC=CC=C24)OC |
| Nring | 4.0 |
| 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 Celastrus Angulatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Picrasma Quassioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all