(2R,3R,4R)-4-[3-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-4,6-dihydroxy-2-[2-(4-hydroxyphenyl)ethenyl]phenyl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol

C44H36O11 — CID 162880555

IUPAC(2R,3R,4R)-4-[3-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-4,6-dihydroxy-2-[2-(4-hydroxyphenyl)ethenyl]phenyl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
SMILESOc1ccc(C=Cc2c([C@H]3c4ccc(O)cc4O[C@H](c4ccc(O)cc4)[C@@H]3O)c(O)cc(O)c2[C@@H]2c3ccc(O)cc3O[C@H](c3ccc(O)cc3)[C@H]2O)cc1
InChIInChI=1S/C44H36O11/c45-25-8-1-22(2-9-25)3-16-32-37(39-30-17-14-28(48)19-35(30)54-43(41(39)52)23-4-10-26(46)11-5-23)33(50)21-34(51)38(32)40-31-18-15-29(49)20-36(31)55-44(42(40)53)24-6-12-27(47)13-7-24/h1-21,39-53H/t39-,40+,41-,42+,43-,44-/m1/s1
InChIKeyILWJJFPYZBBSBJ-AIQPRJGPSA-N
MW740.76 g/mol
LogP7.05
Rot. Bonds6

About (2R,3R,4R)-4-[3-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-4,6-dihydroxy-2-[2-(4-hydroxyphenyl)ethenyl]phenyl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol

(2R,3R,4R)-4-[3-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-4,6-dihydroxy-2-[2-(4-hydroxyphenyl)ethenyl]phenyl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol (PubChem CID 162880555) has the molecular formula C44H36O11 and a molecular weight of 740.76 g/mol. Its IUPAC name is (2R,3R,4R)-4-[3-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-4,6-dihydroxy-2-[2-(4-hydroxyphenyl)ethenyl]phenyl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol.

Molecular Properties

Compound Name(2R,3R,4R)-4-[3-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-4,6-dihydroxy-2-[2-(4-hydroxyphenyl)ethenyl]phenyl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
PubChem CID162880555
Molecular FormulaC44H36O11
Molecular Weight740.76 g/mol
Exact Mass740.23
IUPAC Name(2R,3R,4R)-4-[3-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-4,6-dihydroxy-2-[2-(4-hydroxyphenyl)ethenyl]phenyl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
SMILESOc1ccc(C=Cc2c([C@H]3c4ccc(O)cc4O[C@H](c4ccc(O)cc4)[C@@H]3O)c(O)cc(O)c2[C@@H]2c3ccc(O)cc3O[C@H](c3ccc(O)cc3)[C@H]2O)cc1
InChIInChI=1S/C44H36O11/c45-25-8-1-22(2-9-25)3-16-32-37(39-30-17-14-28(48)19-35(30)54-43(41(39)52)23-4-10-26(46)11-5-23)33(50)21-34(51)38(32)40-31-18-15-29(49)20-36(31)55-44(42(40)53)24-6-12-27(47)13-7-24/h1-21,39-53H/t39-,40+,41-,42+,43-,44-/m1/s1
InChIKeyILWJJFPYZBBSBJ-AIQPRJGPSA-N
XLogP7.05
TPSA200.53 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500740.76
LogP ≤ 57.05
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (2R,3R,4R)-4-[3-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-4,6-dihydroxy-2-[2-(4-hydroxyphenyl)ethenyl]phenyl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol with MolForge

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Related Compounds

(2R,3R,4R)-4-[2-[2-(3,4-dihydroxyphenyl)ethenyl]-4,6-dihydroxyphenyl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
CID 162901895
(2R,3S,4R)-4-(2,4-dihydroxy-6-methylphenyl)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
CID 162952833
5-[(2S,3S,5R,6S)-3-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-5-yl]benzene-1,3-diol
CID 101017690
5-[(2S,3S)-4-[(2S,3R,5S,6S)-5-(3,5-dihydroxyphenyl)-2,6-bis(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
CID 162880730
(2S,3S)-8-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
CID 163184600
(2R,3S,4S)-2-[2-[(2R,3S,4S)-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4,5-trihydroxyphenyl]-3,4-dihydro-2H-chromene-3,4,7-triol
CID 162935370
4-[(2S,3S)-3-[(2S,3S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-yl]-4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol
CID 10101199
4-[(2S,3S)-3-[(2S,3R)-3-(3,5-dihydroxyphenyl)-4-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-yl]-4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol
CID 101215352
4-[(E)-2-[2,3-bis(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]phenol
CID 102321408
5-[(2R,3S)-4-hydroxy-6-[(2S,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
CID 162919301
5-[(2R,3R)-4-hydroxy-6-[(2S,3S)-4-hydroxy-6-[(2S,3S)-4-hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
CID 163014306
5-[(2S,3S)-4-hydroxy-6-[(2R,3R)-4-hydroxy-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
CID 100943050

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-4-[3-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-4,6-dihydroxy-2-[2-(4-hydroxyphenyl)ethenyl]phenyl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol?
The IUPAC name of (2R,3R,4R)-4-[3-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-4,6-dihydroxy-2-[2-(4-hydroxyphenyl)ethenyl]phenyl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol (CID 162880555) is (2R,3R,4R)-4-[3-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-4,6-dihydroxy-2-[2-(4-hydroxyphenyl)ethenyl]phenyl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol.
What is the SMILES notation for (2R,3R,4R)-4-[3-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-4,6-dihydroxy-2-[2-(4-hydroxyphenyl)ethenyl]phenyl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol?
The canonical SMILES for (2R,3R,4R)-4-[3-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-4,6-dihydroxy-2-[2-(4-hydroxyphenyl)ethenyl]phenyl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol is Oc1ccc(C=Cc2c([C@H]3c4ccc(O)cc4O[C@H](c4ccc(O)cc4)[C@@H]3O)c(O)cc(O)c2[C@@H]2c3ccc(O)cc3O[C@H](c3ccc(O)cc3)[C@H]2O)cc1.
What is the InChIKey of (2R,3R,4R)-4-[3-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-4,6-dihydroxy-2-[2-(4-hydroxyphenyl)ethenyl]phenyl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol?
The InChIKey is ILWJJFPYZBBSBJ-AIQPRJGPSA-N. The full InChI is InChI=1S/C44H36O11/c45-25-8-1-22(2-9-25)3-16-32-37(39-30-17-14-28(48)19-35(30)54-43(41(39)52)23-4-10-26(46)11-5-23)33(50)21-34(51)38(32)40-31-18-15-29(49)20-36(31)55-44(42(40)53)24-6-12-27(47)13-7-24/h1-21,39-53H/t39-,40+,41-,42+,43-,44-/m1/s1.
What are the key properties of (2R,3R,4R)-4-[3-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-4,6-dihydroxy-2-[2-(4-hydroxyphenyl)ethenyl]phenyl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol?
(2R,3R,4R)-4-[3-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-4,6-dihydroxy-2-[2-(4-hydroxyphenyl)ethenyl]phenyl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol has a molecular weight of 740.76 g/mol, XLogP of 7.05, 6 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-4-[3-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-4,6-dihydroxy-2-[2-(4-hydroxyphenyl)ethenyl]phenyl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol is sourced from PubChem (CID 162880555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).