Swietenidin B
PubChem CID: 442933
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| Compound Synonyms | Swietenidin B, 2721-56-4, Swietenidine B, 3,4-Dimethoxy-2-quinolinol, 3,4-dimethoxy-1H-quinolin-2-one, C10741, AC1L9DOH, CTK8H9442, 3,4-Dimethoxy-carbostyril, SureCN4065612, CHEBI:9373, SCHEMBL4065612, DTXSID20332012, SZUBEJQEEOURQH-UHFFFAOYSA-N, 3,4-dimethoxy-2(1H)-quinolinone, CAA72156, AKOS040763209, Q27108365 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 47.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CCCCC2C1 |
| Np Classifier Class | Quinoline alkaloids |
| Deep Smiles | COccOC))c=O)[nH]cc6cccc6 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | OC1CCC2CCCCC2N1 |
| Classyfire Subclass | Quinolones and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 298.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4-dimethoxy-1H-quinolin-2-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H11NO3 |
| Scaffold Graph Node Bond Level | O=c1ccc2ccccc2[nH]1 |
| Inchi Key | SZUBEJQEEOURQH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | swietenidin b, swietenidins b |
| Esol Class | Soluble |
| Functional Groups | c=O, cOC, c[nH]c |
| Compound Name | Swietenidin B |
| Exact Mass | 205.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 205.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 205.21 |
| 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/C11H11NO3/c1-14-9-7-5-3-4-6-8(7)12-11(13)10(9)15-2/h3-6H,1-2H3,(H,12,13) |
| Smiles | COC1=C(C(=O)NC2=CC=CC=C21)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids, Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Chloroxylon Swietenia (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788185042084; ISBN:9789327275590