6-Demethoxycapillarisin
PubChem CID: 5316511
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| Compound Synonyms | Demethoxycapillarisin, 61854-36-2, 6-Demethoxycapillarisin, 5,7-dihydroxy-2-(4-hydroxyphenoxy)chromen-4-one, C15H10O6, 5,7-Dihydroxy-2-(4-hydroxyphenoxy)-4H-1-benzopyran-4-one, 6-Demethoxycapillarisin, SCHEMBL4657895, CHEBI:81338, DTXSID60977421, HY-N3720, LCA85436, AKOS032948873, FS-9286, 2-(p-hydroxyphenoxy)-5,7-dihydroxychromone, CS-0024114, C17786, Q27155277, 5,7-Dihydroxy-2-(4-hydroxyphenoxy)-4H-1-benzopyran-4-one, B0005-453380 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC(CC2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Simple coumarins |
| Deep Smiles | Occcccc6))Occc=O)cco6)cccc6O)))O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Coumarins and derivatives |
| Scaffold Graph Node Level | OC1CC(OC2CCCCC2)OC2CCCCC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 426.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-(4-hydroxyphenoxy)chromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 1.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O6 |
| Scaffold Graph Node Bond Level | O=c1cc(Oc2ccccc2)oc2ccccc12 |
| Inchi Key | UBSCDKPKWHYZNX-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 6-demethoxycapillarisin |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cO, cOc, coc |
| Compound Name | 6-Demethoxycapillarisin |
| Exact Mass | 286.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 286.24 |
| 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 |
| Inchi | InChI=1S/C15H10O6/c16-8-1-3-10(4-2-8)20-14-7-12(19)15-11(18)5-9(17)6-13(15)21-14/h1-7,16-18H |
| Smiles | C1=CC(=CC=C1O)OC2=CC(=O)C3=C(C=C(C=C3O2)O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Coumarins |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 2. Outgoing r'ship
FOUND_INto/from Artemisia Dracunculus (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/17848630