2-Hydroxy-1-(1H-indol-3-yl)ethanone
PubChem CID: 200631
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| Compound Synonyms | 2-Hydroxy-1-(1H-indol-3-yl)ethanone, 2400-51-3, 3-Glyceroindole, 2-Hydroxy-1-(3-indolyl)ethanone, Ethanone, 2-hydroxy-1-(1H-indol-3-yl)-, INDOLE-3-KETOL, Hydroxymethyl indol-3-yl ketone, MFCD00466496, 2-hydroxy-1-(1H-indol-3-yl)ethan-1-one, 2-hydroxy-1-(1H-indol-3-yl)-ethanone, BRN 0142060, 3-(Hydroxyacetyl)Indole, Ethanone,2-hydroxy-1-(1H-indol-3-yl)-, 3-hydroxyacetylindole, 3-(hydroxyacetyl)-indole, ChemDiv3_003333, 3-(hydroxylacetyl)-indole, Cambridge id 5106709, Oprea1_735053, MLS001049127, CHEMBL524903, SCHEMBL4056357, DTXSID80178731, CHEBI:173472, IBLZDDPFMAFWKP-UHFFFAOYSA-N, HMS1482H11, 2-hydroxy-1-(indol-3-yl)ethanone, AC5698, STK386423, AKOS005431093, Hydroxymethyl indol-3-yl ketone, 8CI, IDI1_021243, NCGC00182562-01, BS-36792, SMR000386954, SY131003, DB-347091, CS-0450037, 2-Hydroxy-1-(1H-indol-3-yl)ethanone, 9CI |
|---|---|
| Topological Polar Surface Area | 53.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Description | Alkaloid from liquid cultures of the fungus Lactarius deliciosus. Hydroxymethyl indol-3-yl ketone is found in mushrooms. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-1-(1H-indol-3-yl)ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C10H9NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IBLZDDPFMAFWKP-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -2.553 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.393 |
| Synonyms | 2-Hydroxy-1-(1H-indol-3-yl)-ethanone, 2-hydroxy-1-(1H-indol-3-yl)ethanone, 2-Hydroxy-1-(1H-indol-3-yl)ethanone, 9CI, 3-Glyceroindole, Ethanone, 2-hydroxy-1-(1H-indol-3-yl)-, Hydroxymethyl indol-3-yl ketone, 8CI, INDOLE-3-KETOL |
| Compound Name | 2-Hydroxy-1-(1H-indol-3-yl)ethanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 175.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 175.063 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 175.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9868670923076923 |
| Inchi | InChI=1S/C10H9NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-5,11-12H,6H2 |
| Smiles | C1=CC=C2C(=C1)C(=CN2)C(=O)CO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Scouleri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Frangula Alnus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Lotus Corniculatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Salvia Clevelandii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Xanthium Strumarium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all