Hypolaetin
PubChem CID: 5281648
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| Compound Synonyms | Hypolaetin, 8-Hydroxyluteolin, 27696-41-9, Isoorientingic, P9TM8PY56J, 2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxychromen-4-one, CHEBI:5837, 3',4',5,7,8-Pentahydroxyflavone, Flavone, 3',4',5,7,8-pentahydroxy-, DTXSID70415167, 2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-4H-chromen-4-one, UNII-P9TM8PY56J, SCHEMBL7743466, CHEMBL1829395, DTXCID60366018, LMPK12111397, Q15411029 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavones |
| Deep Smiles | Occcccc6O))))ccc=O)cco6)cO)ccc6O)))O |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 477.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q86831 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxychromen-4-one |
| Prediction Hob | 0.0 |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O7 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ASOIXDIITRKTOX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0 |
| Logs | -3.7 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.327 |
| Synonyms | hypolaetin |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | Hypolaetin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.043 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 302.23 |
| 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 | -2.923157418181818 |
| Inchi | InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)12-5-10(19)13-9(18)4-11(20)14(21)15(13)22-12/h1-5,16-18,20-21H |
| Smiles | C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)O)O)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 Bixa Orellana (Plant) Rel Props:Reference:ISBN:9788172360481 - 2. Outgoing r'ship
FOUND_INto/from Cyclamen Purpurascens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Modiola Caroliniana (Plant) Rel Props:Reference:ISBN:9788172362461 - 4. Outgoing r'ship
FOUND_INto/from Platycladus Orientalis (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/19280159 - 5. Outgoing r'ship
FOUND_INto/from Urena Lobata (Plant) Rel Props:Reference:ISBN:9788172363093