7-Hydroxy-4-benzopyrone
PubChem CID: 5409279
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| Compound Synonyms | 59887-89-7, 7-hydroxy-4H-chromen-4-one, 7-hydroxychromen-4-one, 7-Hydroxy-4-benzopyrone, 7-Hydroxychromone, 7-Hydroxy-4-chromone, EINECS 261-973-7, MFCD00209371, CHEMBL58827, 7-Hydroxy-4-chromone, 97%, DTXSID40208604, 7-Hydroxybenzopyran-4-one, 7-Hydroxy-4H-1-benzopyran-4-one, 7-hydroxybenzopyran-4one, 7-Hydroxy-chromen-4-one, 7-hydroxy-4H-4-chromenone, SCHEMBL546240, 7-hydroxy-4(4H)-benzopyranone, DTXCID50131095, CHEBI:192676, HY-N6596, BDBM50077313, s5548, AKOS022636327, CCG-266292, SB22724, AS-34963, DA-04534, PD078619, SY233998, CS-0034320, NS00034264, AN-829/40236618, F6170-0105, 7-Hydroxy-4H-1-benzopyran-4-one, 7-Hydroxybenzopyran-4-one, 261-973-7 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2CCCCC12 |
| Np Classifier Class | Chromones |
| Deep Smiles | Occcccc6)occc6=O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Benzopyrans |
| Scaffold Graph Node Level | OC1CCOC2CCCCC12 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 222.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P16116, P47199 |
| Iupac Name | 7-hydroxychromen-4-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H6O3 |
| Scaffold Graph Node Bond Level | O=c1ccoc2ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WVJCRTSTRGRJJT-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0 |
| Logs | -2.707 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.932 |
| Synonyms | 7-hydroxy-chromone |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | 7-Hydroxy-4-benzopyrone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 162.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.032 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 162.14 |
| 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 |
| Esol | -1.3737594666666666 |
| Inchi | InChI=1S/C9H6O3/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5,10H |
| Smiles | C1=CC2=C(C=C1O)OC=CC2=O |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Chromanes |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 2. Outgoing r'ship
FOUND_INto/from Dipteryx Odorata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all