Di-(p-hydroxy-cis-styryl)methane
PubChem CID: 102326871
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| Compound Synonyms | CHEMBL4755922, SCHEMBL23728175, di-(p-hydroxy-cis-styryl)methane, CHEBI:172493, 4-[(1Z,4Z)-5-(4-hydroxyphenyl)penta-1,4-dienyl]phenol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CCCCCC2CCCCC2)CC1 |
| Deep Smiles | Occcccc6))/C=CC/C=Ccccccc6))O |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCC(CCCCCC2CCCCC2)CC1 |
| Classyfire Subclass | Styrenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 262.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(1Z,4Z)-5-(4-hydroxyphenyl)penta-1,4-dienyl]phenol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H16O2 |
| Scaffold Graph Node Bond Level | C(=Cc1ccccc1)CC=Cc1ccccc1 |
| Inchi Key | YAICIVXHPPILRT-JVLMNHKTSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | di-(p-hydroxy-cis-styryl)methane |
| Esol Class | Soluble |
| Functional Groups | c/C=CC, cO |
| Compound Name | Di-(p-hydroxy-cis-styryl)methane |
| Exact Mass | 252.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 252.31 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H16O2/c18-16-10-6-14(7-11-16)4-2-1-3-5-15-8-12-17(19)13-9-15/h2-13,18-19H,1H2/b4-2-,5-3- |
| Smiles | C1=CC(=CC=C1/C=C\C/C=C\C2=CC=C(C=C2)O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenylpropanoids (C6-C3) |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Galanga (Plant) Rel Props:Reference:ISBN:9770972795006 - 2. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:npass_chem_all