Leucodelphidin
PubChem CID: 440835
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| Compound Synonyms | Leucodelphidin, Leucodelphinidin, Leucoephdin, 98919-67-6, Leucoephdine, Leucoefdin, Gallocatechin-4beta-ol, 7Y16CK877U, 3,3',4,4',5,5',7-Flavanheptol, (2R,3S,4S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol, UNII-7Y16CK877U, (2R,3S,4S)-leucodelphinidin, 2H-1-Benzopyran-3,4,5,7-tetrol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, 3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,4,5,7-tetrol, (2R,3S,4S)-3,3',4,4',5,5',7-heptahydroxyflavan, (2R,3S,4S)-leucoefdin, (2R,3S,4S)-leucodelfinidin, CHEBI:6417, SCHEMBL14374974, (2R,3S)-gallocatechin-4beta-ol, LMPK12020209, AKOS040752514, C05909, Q6534133, (2R,3S,4S)-3,4,5,7,3',4',5'-heptahydroxyflavan, (2R,3S,4S)-2-(3,4,5-trihydroxyphenyl)chroman-3,4,5,7-tetrol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 151.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC(C2CCC3CCCCC3C2)CC1 |
| Np Classifier Class | Flavandiols (Leucoanthocyanidins) |
| Deep Smiles | OcccO[C@H]cccO)ccc6)O))O)))))[C@H][C@H]c6cc%10)O)))O))O |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | C1CCC(C2CCC3CCCCC3O2)CC1 |
| Classyfire Subclass | Flavans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 408.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2R,3S,4S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol |
| Veber Rule | False |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 0.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H14O8 |
| Scaffold Graph Node Bond Level | c1ccc(C2CCc3ccccc3O2)cc1 |
| Inchi Key | ZEACOKJOQLAYTD-SOUVJXGZSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | (+)-leucodelphinidin, lecuodelphinidin, leuco-delphinidin, leucoanthocyanidin, leucoanthocyanidins, leucodelphinidin, leukoefdin |
| Esol Class | Soluble |
| Functional Groups | CO, cO, cOC |
| Compound Name | Leucodelphidin |
| Exact Mass | 322.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 322.069 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 322.27 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H14O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13-22H/t13-,14-,15+/m0/s1 |
| Smiles | C1=C(C=C(C(=C1O)O)O)[C@@H]2[C@H]([C@H](C3=C(C=C(C=C3O2)O)O)O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Flavonoids |
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