5-hydroxy-3-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-9-methoxy-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[2,3-h]chromen-4-one

C26H28O7 — CID 56670819

IUPAC5-hydroxy-3-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-9-methoxy-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[2,3-h]chromen-4-one
SMILESCOC1c2c(c(CC=C(C)C)c(O)c3c(=O)c(-c4ccc(O)cc4)coc23)OC1C(C)(C)O
InChIInChI=1S/C26H28O7/c1-13(2)6-11-16-20(28)18-21(29)17(14-7-9-15(27)10-8-14)12-32-23(18)19-22(16)33-25(24(19)31-5)26(3,4)30/h6-10,12,24-25,27-28,30H,11H2,1-5H3
InChIKeyDTTYOIOSVDOSOG-UHFFFAOYSA-N
MW452.50 g/mol
LogP4.60
Rot. Bonds5

About 5-hydroxy-3-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-9-methoxy-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[2,3-h]chromen-4-one

5-hydroxy-3-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-9-methoxy-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[2,3-h]chromen-4-one (PubChem CID 56670819) has the molecular formula C26H28O7 and a molecular weight of 452.50 g/mol. Its IUPAC name is 5-hydroxy-3-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-9-methoxy-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[2,3-h]chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-3-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-9-methoxy-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[2,3-h]chromen-4-one
PubChem CID56670819
Molecular FormulaC26H28O7
Molecular Weight452.50 g/mol
Exact Mass452.18
IUPAC Name5-hydroxy-3-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-9-methoxy-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[2,3-h]chromen-4-one
SMILESCOC1c2c(c(CC=C(C)C)c(O)c3c(=O)c(-c4ccc(O)cc4)coc23)OC1C(C)(C)O
InChIInChI=1S/C26H28O7/c1-13(2)6-11-16-20(28)18-21(29)17(14-7-9-15(27)10-8-14)12-32-23(18)19-22(16)33-25(24(19)31-5)26(3,4)30/h6-10,12,24-25,27-28,30H,11H2,1-5H3
InChIKeyDTTYOIOSVDOSOG-UHFFFAOYSA-N
XLogP4.60
TPSA109.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-hydroxy-2-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one
CID 162876300
(2S,3S)-4-hydroxy-6-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-3-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one
CID 102004641
(2S)-5-hydroxy-2-(hydroxymethyl)-7-(4-hydroxyphenyl)-2-methyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
CID 162944058
5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)chromen-4-one
CID 25224570
5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one
CID 15719494
3-(3,4-dihydroxyphenyl)-6-[(3,3-dimethyloxiran-2-yl)methyl]-5-hydroxy-8,8-dimethylpyrano[2,3-h]chromen-4-one;5-(3,4-dihydroxyphenyl)-9-[(3,3-dimethyloxiran-2-yl)methyl]-8-hydroxy-12,12-dimethyl-3,11,14-trioxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2(7),4,8-tetraen-6-one;3-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one;6-[(3,3-dimethyloxiran-2-yl)methyl]-5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;9-[(3,3-dimethyloxiran-2-yl)methyl]-8-hydroxy-5-(4-hydroxyphenyl)-12,12-dimethyl-3,11,14-trioxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2(7),4,8-tetraen-6-one;5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one;methane
CID 165094485
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one
CID 1849
8-(aminomethyl)-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one
CID 142974313
(2S)-4-hydroxy-6-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one
CID 163014265
3-(2,4-dihydroxyphenyl)-10-hydroxy-7,7-dimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-g]chromen-4-one
CID 163030793
7,8-dihydroxy-3-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
CID 16733845
8-[(dimethylamino)methyl]-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one
CID 11739803

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-9-methoxy-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[2,3-h]chromen-4-one?
The IUPAC name of 5-hydroxy-3-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-9-methoxy-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[2,3-h]chromen-4-one (CID 56670819) is 5-hydroxy-3-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-9-methoxy-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[2,3-h]chromen-4-one.
What is the SMILES notation for 5-hydroxy-3-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-9-methoxy-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[2,3-h]chromen-4-one?
The canonical SMILES for 5-hydroxy-3-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-9-methoxy-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[2,3-h]chromen-4-one is COC1c2c(c(CC=C(C)C)c(O)c3c(=O)c(-c4ccc(O)cc4)coc23)OC1C(C)(C)O.
What is the InChIKey of 5-hydroxy-3-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-9-methoxy-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[2,3-h]chromen-4-one?
The InChIKey is DTTYOIOSVDOSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O7/c1-13(2)6-11-16-20(28)18-21(29)17(14-7-9-15(27)10-8-14)12-32-23(18)19-22(16)33-25(24(19)31-5)26(3,4)30/h6-10,12,24-25,27-28,30H,11H2,1-5H3.
What are the key properties of 5-hydroxy-3-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-9-methoxy-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[2,3-h]chromen-4-one?
5-hydroxy-3-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-9-methoxy-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[2,3-h]chromen-4-one has a molecular weight of 452.50 g/mol, XLogP of 4.60, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-9-methoxy-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[2,3-h]chromen-4-one is sourced from PubChem (CID 56670819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).