This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Dendrophenol

PubChem CID: 176096

Connections displayed (default: 10).
Loading graph...

Compound Synonyms Dendrophenol, 108853-14-1, Moscatilin, 4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,6-dimethoxyphenol, 4,4'-Dihydroxy-3,3',5-trimethoxybibenzyl, Phenol, 4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,6-dimethoxy-, Phenol, 4-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2,6-dimethoxy-, Aloifol II, CHEMBL374047, SCHEMBL18563068, DTXSID80148752, YTRAYUIKLRABOQ-UHFFFAOYSA-N, EX-A6749, HY-N6031, AKOS028108609, MS-24394, CS-0032202, Dibenzyl, 4,4'-dihydroxy-3,3',5-trimethoxy, 4 pound not4'-Dihydroxy-3 pound not3' pound not5-trimethoxybibenzyl
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 68.2
Hydrogen Bond Donor Count 2.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC(CCC2CCCCC2)CC1
Np Classifier Class Monomeric stilbenes
Deep Smiles COcccCCcccOC))ccc6)OC)))O)))))))ccc6O
Heavy Atom Count 22.0
Classyfire Class Stilbenes
Scaffold Graph Node Level C1CCC(CCC2CCCCC2)CC1
Isotope Atom Count 0.0
Molecular Complexity 310.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a.
Iupac Name 4-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,6-dimethoxyphenol
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Xlogp 2.7
Gsk 4 400 Rule True
Molecular Formula C17H20O5
Scaffold Graph Node Bond Level c1ccc(CCc2ccccc2)cc1
Prediction Swissadme 1.0
Inchi Key YTRAYUIKLRABOQ-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 0.2941176470588235
Logs -4.143
Rotatable Bond Count 6.0
Logd 3.205
Synonyms moscatilin
Esol Class Soluble
Functional Groups cO, cOC
Compound Name Dendrophenol
Prediction Hob Swissadme 1.0
Exact Mass 304.131
Formal Charge 0.0
Monoisotopic Mass 304.131
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 304.34
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 -3.624556763636364
Inchi InChI=1S/C17H20O5/c1-20-14-8-11(6-7-13(14)18)4-5-12-9-15(21-2)17(19)16(10-12)22-3/h6-10,18-19H,4-5H2,1-3H3
Smiles COC1=CC(=CC(=C1O)OC)CCC2=CC(=C(C=C2)O)OC
Nring 2.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Stilbenoids