Phaitanthrins B
PubChem CID: 24970643
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| Compound Synonyms | PHAITANTHRINS B, methyl 2-(6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl)acetate, methyl 2-(6-hydroxy-12-oxoindolo(2,1-b)quinazolin-6-yl)acetate, CHEMBL452546 |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 590.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2-(6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl)acetate |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C18H14N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CGMNLIDQBYRXFP-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.824 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.333 |
| Compound Name | Phaitanthrins B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 322.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 322.095 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 322.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.011117333333334 |
| Inchi | InChI=1S/C18H14N2O4/c1-24-15(21)10-18(23)12-7-3-5-9-14(12)20-16(22)11-6-2-4-8-13(11)19-17(18)20/h2-9,23H,10H2,1H3 |
| Smiles | COC(=O)CC1(C2=CC=CC=C2N3C1=NC4=CC=CC=C4C3=O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phaius Mishmensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all