Corymbosin
PubChem CID: 10970376
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| Compound Synonyms | Corymbosin, 18103-41-8, 2-(3,4,5-Trimethoxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one, 5-hydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one, 5-Hydroxy-3',4',5',7-tetramethoxyflavone, CHEMBL511257, SCHEMBL1976826, FLCVGMVLNHYJAW-UHFFFAOYSA-N, DTXSID701347298, HY-N7329, TAA10341, LMPK12111069, MFCD02183384, AKOS040761537, FS-8803, DA-52066, 5-hydroxy7,3',4',5'-tetra-methoxyflavone, CS-0113332, F87819, Q63392823 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 83.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavones |
| Deep Smiles | COcccO)ccc6)occc6=O)))cccOC))ccc6)OC)))OC |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | O-methylated flavonoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 520.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C19H18O7 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FLCVGMVLNHYJAW-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.374 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.828 |
| Synonyms | 5-hydroxy-7,3',4'-5'-tetramethoxyflavone (corymbosin), corymbosin |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cO, cOC, coc |
| Compound Name | Corymbosin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 358.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 358.3 |
| 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 | -3.743229815384616 |
| Inchi | InChI=1S/C19H18O7/c1-22-11-7-12(20)18-13(21)9-14(26-15(18)8-11)10-5-16(23-2)19(25-4)17(6-10)24-3/h5-9,20H,1-4H3 |
| Smiles | COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C(=C3)OC)OC)OC)O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Gardenia Jasminoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Tarenna Asiatica (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788185042053 - 3. Outgoing r'ship
FOUND_INto/from Turbina Corymbosa (Plant) Rel Props:Reference:ISBN:9788185042053 - 4. Outgoing r'ship
FOUND_INto/from Vitex Negundo (Plant) Rel Props:Reference:https://doi.org/10.1002/minf.201000163