Gravacridonolchlorine
PubChem CID: 5317838
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| Compound Synonyms | Gravacridonolchlorine, CHEBI:229923, DTXSID801108873, 38494-85-8, 2-(2-chloro-1,3-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrouro[2,3-c]acridin-6-one, 2-(2-chloro-1,3-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1H,2H,6H,11H-furo[2,3-c]acridin-6-one, 2-[1-Chloro-2-hydroxy-1-(hydroxymethyl)ethyl]-1,11-dihydro-5-hydroxy-11-methylfuro[2,3-c]acridin-6(2H)-one, Furo[2,3-c]acridin-6(2H)-one, 2-[1-chloro-2-hydroxy-1-(hydroxymethyl)ethyl]-1,11-dihydro-5-hydroxy-11-methyl- |
|---|---|
| Topological Polar Surface Area | 90.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 556.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-chloro-1,3-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one |
| Prediction Hob | 1.0 |
| Class | Quinolines and derivatives |
| Xlogp | 2.5 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Benzoquinolines |
| Molecular Formula | C19H18ClNO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OYGSTYGNRLPAMK-UHFFFAOYSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -4.793 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Logd | 4.332 |
| Synonyms | 2-[1-Chloro-2-hydroxy-1-(hydroxymethyl)ethyl]-1,11-dihydro-5-hydroxy-11-methylfuro[2,3-c]acridin-6(2H)-one |
| Compound Name | Gravacridonolchlorine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 375.087 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 375.087 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 375.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -4.594371138461538 |
| Inchi | InChI=1S/C19H18ClNO5/c1-21-12-5-3-2-4-10(12)18(25)16-13(24)7-14-11(17(16)21)6-15(26-14)19(20,8-22)9-23/h2-5,7,15,22-24H,6,8-9H2,1H3 |
| Smiles | CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C=C3O)OC(C4)C(CO)(CO)Cl |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Acridones |
- 1. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all