4-[3-(3,5-dihydroxyphenyl)-5-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-2,3-dihydro-1-benzofuran-2-yl]-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol

C42H30O12 — CID 75149489

IUPAC4-[3-(3,5-dihydroxyphenyl)-5-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-2,3-dihydro-1-benzofuran-2-yl]-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol
SMILESOc1cc(O)cc(C2c3cc(C4Oc5cc(-c6cc7ccc(O)cc7o6)cc(O)c5C4c4cc(O)cc(O)c4)c(O)cc3OC2c2ccc(O)cc2O)c1
InChIInChI=1S/C42H30O12/c43-22-3-4-28(31(49)14-22)41-38(20-5-24(45)12-25(46)6-20)30-16-29(32(50)17-36(30)53-41)42-39(21-7-26(47)13-27(48)8-21)40-33(51)9-19(11-37(40)54-42)34-10-18-1-2-23(44)15-35(18)52-34/h1-17,38-39,41-51H
InChIKeyHGGUGLARKRGHTC-UHFFFAOYSA-N
MW726.69 g/mol
LogP7.98
Rot. Bonds5

About 4-[3-(3,5-dihydroxyphenyl)-5-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-2,3-dihydro-1-benzofuran-2-yl]-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol

4-[3-(3,5-dihydroxyphenyl)-5-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-2,3-dihydro-1-benzofuran-2-yl]-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol (PubChem CID 75149489) has the molecular formula C42H30O12 and a molecular weight of 726.69 g/mol. Its IUPAC name is 4-[3-(3,5-dihydroxyphenyl)-5-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-2,3-dihydro-1-benzofuran-2-yl]-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[3-(3,5-dihydroxyphenyl)-5-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-2,3-dihydro-1-benzofuran-2-yl]-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol
PubChem CID75149489
Molecular FormulaC42H30O12
Molecular Weight726.69 g/mol
Exact Mass726.17
IUPAC Name4-[3-(3,5-dihydroxyphenyl)-5-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-2,3-dihydro-1-benzofuran-2-yl]-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol
SMILESOc1cc(O)cc(C2c3cc(C4Oc5cc(-c6cc7ccc(O)cc7o6)cc(O)c5C4c4cc(O)cc(O)c4)c(O)cc3OC2c2ccc(O)cc2O)c1
InChIInChI=1S/C42H30O12/c43-22-3-4-28(31(49)14-22)41-38(20-5-24(45)12-25(46)6-20)30-16-29(32(50)17-36(30)53-41)42-39(21-7-26(47)13-27(48)8-21)40-33(51)9-19(11-37(40)54-42)34-10-18-1-2-23(44)15-35(18)52-34/h1-17,38-39,41-51H
InChIKeyHGGUGLARKRGHTC-UHFFFAOYSA-N
XLogP7.98
TPSA213.67 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500726.69
LogP ≤ 57.98
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Analyze 4-[3-(3,5-dihydroxyphenyl)-5-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-2,3-dihydro-1-benzofuran-2-yl]-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol with MolForge

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Related Compounds

Ginkgetin
CID 5271805
Bilobetin
CID 5315459
7-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethyl-2H-chromen-5-ol
CID 641378
Isoginkgetin
CID 5318569
Moracin M
CID 185848
Moracin C
CID 155248
Moracin N
CID 641376
Mulberrofuran H
CID 20056162
Sciadopitysin
CID 5281696
Moracin P
CID 25208124
Licocoumarone
CID 503731
Glabrocoumarone B
CID 15233562

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dihydroxyphenyl)-5-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-2,3-dihydro-1-benzofuran-2-yl]-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol?
The IUPAC name of 4-[3-(3,5-dihydroxyphenyl)-5-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-2,3-dihydro-1-benzofuran-2-yl]-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol (CID 75149489) is 4-[3-(3,5-dihydroxyphenyl)-5-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-2,3-dihydro-1-benzofuran-2-yl]-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[3-(3,5-dihydroxyphenyl)-5-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-2,3-dihydro-1-benzofuran-2-yl]-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol?
The canonical SMILES for 4-[3-(3,5-dihydroxyphenyl)-5-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-2,3-dihydro-1-benzofuran-2-yl]-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol is Oc1cc(O)cc(C2c3cc(C4Oc5cc(-c6cc7ccc(O)cc7o6)cc(O)c5C4c4cc(O)cc(O)c4)c(O)cc3OC2c2ccc(O)cc2O)c1.
What is the InChIKey of 4-[3-(3,5-dihydroxyphenyl)-5-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-2,3-dihydro-1-benzofuran-2-yl]-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol?
The InChIKey is HGGUGLARKRGHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30O12/c43-22-3-4-28(31(49)14-22)41-38(20-5-24(45)12-25(46)6-20)30-16-29(32(50)17-36(30)53-41)42-39(21-7-26(47)13-27(48)8-21)40-33(51)9-19(11-37(40)54-42)34-10-18-1-2-23(44)15-35(18)52-34/h1-17,38-39,41-51H.
What are the key properties of 4-[3-(3,5-dihydroxyphenyl)-5-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-2,3-dihydro-1-benzofuran-2-yl]-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol?
4-[3-(3,5-dihydroxyphenyl)-5-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-2,3-dihydro-1-benzofuran-2-yl]-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol has a molecular weight of 726.69 g/mol, XLogP of 7.98, 5 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dihydroxyphenyl)-5-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-2,3-dihydro-1-benzofuran-2-yl]-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol is sourced from PubChem (CID 75149489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).