Gnetol
PubChem CID: 45382232
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| Compound Synonyms | Gnetol, 86361-55-9, (E)-2-(3,5-Dihydroxystyryl)benzene-1,3-diol, 2-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]-1,3-benzenediol, 2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol, CHEMBL5426941, 2,3',5',6-Tetrahydroxy-trans-stilbene, 2-((E)-2-(3,5-dihydroxyphenyl)ethenyl)benzene-1,3-diol, MFCD12405548, 1,3-Benzenediol, 2-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-, SCHEMBL676425, SCHEMBL676426, BDBM50630672, AKOS015915204, FG75813, 2,6,3',5'-tetrahydroxy-trans-stilbene, AC-24226, AS-65738, DB-344811, HY-126052, CS-0090331, G0371, C76801, 5-[(1E)-2-(2,6-dihydroxyphenyl)ethenyl]benzene-1,3-diol, 617-839-9 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC(CCC2CCCCC2)CC1 |
| Np Classifier Class | Monomeric stilbenes |
| Deep Smiles | Occc/C=C/ccO)cccc6O)))))))))ccc6)O |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Stilbenes |
| Scaffold Graph Node Level | C1CCC(CCC2CCCCC2)CC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 272.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H12O4 |
| Scaffold Graph Node Bond Level | C(=Cc1ccccc1)c1ccccc1 |
| Inchi Key | DQULNTWGBBNZSC-SNAWJCMRSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | gnetol |
| Esol Class | Soluble |
| Functional Groups | c/C=C/c, cO |
| Compound Name | Gnetol |
| Exact Mass | 244.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 244.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H12O4/c15-10-6-9(7-11(16)8-10)4-5-12-13(17)2-1-3-14(12)18/h1-8,15-18H/b5-4+ |
| Smiles | C1=CC(=C(C(=C1)O)/C=C/C2=CC(=CC(=C2)O)O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Stilbenoids |
- 1. Outgoing r'ship
FOUND_INto/from Gnetum Ula (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788187748090