Phaitanthrins A
PubChem CID: 24970702
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| Compound Synonyms | PHAITANTHRINS A, 6-acetonyl-6-hydroxy-indolo[2,1-b]quinazolin-12-one, 6-hydroxy-6-(2-oxopropyl)indolo[2,1-b]quinazolin-12-one, 6-hydroxy-6-(2-oxopropyl)indolo(2,1-b)quinazolin-12-one, CHEMBL508897 |
|---|---|
| Topological Polar Surface Area | 70.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 573.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-6-(2-oxopropyl)indolo[2,1-b]quinazolin-12-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C18H14N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CCFVLTFAPUCNHB-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.831 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.244 |
| Compound Name | Phaitanthrins A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 306.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.1 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 306.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.892272808695653 |
| Inchi | InChI=1S/C18H14N2O3/c1-11(21)10-18(23)13-7-3-5-9-15(13)20-16(22)12-6-2-4-8-14(12)19-17(18)20/h2-9,23H,10H2,1H3 |
| Smiles | CC(=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