5-hydroxy-7-[[(3S)-5-hydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]chromen-4-one

C26H20O10 — CID 163054492

IUPAC5-hydroxy-7-[[(3S)-5-hydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]chromen-4-one
SMILESCOc1c(O)ccc([C@H]2COc3cc(Oc4cc(O)c5c(=O)ccoc5c4)cc(O)c3C2=O)c1OC
InChIInChI=1S/C26H20O10/c1-32-25-14(3-4-17(28)26(25)33-2)15-11-35-21-10-13(8-19(30)23(21)24(15)31)36-12-7-18(29)22-16(27)5-6-34-20(22)9-12/h3-10,15,28-30H,11H2,1-2H3/t15-/m1/s1
InChIKeyIPGYPGGXLJIVMD-OAHLLOKOSA-N
MW492.44 g/mol
LogP4.08
Rot. Bonds5

About 5-hydroxy-7-[[(3S)-5-hydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]chromen-4-one

5-hydroxy-7-[[(3S)-5-hydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]chromen-4-one (PubChem CID 163054492) has the molecular formula C26H20O10 and a molecular weight of 492.44 g/mol. Its IUPAC name is 5-hydroxy-7-[[(3S)-5-hydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-7-[[(3S)-5-hydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]chromen-4-one
PubChem CID163054492
Molecular FormulaC26H20O10
Molecular Weight492.44 g/mol
Exact Mass492.11
IUPAC Name5-hydroxy-7-[[(3S)-5-hydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]chromen-4-one
SMILESCOc1c(O)ccc([C@H]2COc3cc(Oc4cc(O)c5c(=O)ccoc5c4)cc(O)c3C2=O)c1OC
InChIInChI=1S/C26H20O10/c1-32-25-14(3-4-17(28)26(25)33-2)15-11-35-21-10-13(8-19(30)23(21)24(15)31)36-12-7-18(29)22-16(27)5-6-34-20(22)9-12/h3-10,15,28-30H,11H2,1-2H3/t15-/m1/s1
InChIKeyIPGYPGGXLJIVMD-OAHLLOKOSA-N
XLogP4.08
TPSA144.89 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.44
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

(3R)-3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 162857311
(3S)-5,7-dimethoxy-3-(2,3,4-trimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 163087597
(3S)-3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 163056950
(3R)-3-(2,4-dihydroxyphenyl)-5,7-dimethoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 46232310
7-hydroxy-3-(2-hydroxy-3,4-dimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 24796965
(3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 139082569
7-hydroxy-3-[3-hydroxy-4-(hydroxymethyl)-2-methoxyphenyl]-2,3-dihydrochromen-4-one
CID 131753209
[3-acetyloxy-4-(5-acetyloxy-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl)phenyl] acetate
CID 10342512
7-hydroxy-3-[2-hydroxy-4-(trideuteriomethoxy)phenyl]-2,3-dihydrochromen-4-one
CID 169447672
5,7-dihydroxy-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-2,3-dihydrochromen-4-one
CID 162994604
(3S)-5,7-dihydroxy-3-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
CID 636604
7-hydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 56681260

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-[[(3S)-5-hydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]chromen-4-one?
The IUPAC name of 5-hydroxy-7-[[(3S)-5-hydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]chromen-4-one (CID 163054492) is 5-hydroxy-7-[[(3S)-5-hydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]chromen-4-one.
What is the SMILES notation for 5-hydroxy-7-[[(3S)-5-hydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]chromen-4-one?
The canonical SMILES for 5-hydroxy-7-[[(3S)-5-hydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]chromen-4-one is COc1c(O)ccc([C@H]2COc3cc(Oc4cc(O)c5c(=O)ccoc5c4)cc(O)c3C2=O)c1OC.
What is the InChIKey of 5-hydroxy-7-[[(3S)-5-hydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]chromen-4-one?
The InChIKey is IPGYPGGXLJIVMD-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H20O10/c1-32-25-14(3-4-17(28)26(25)33-2)15-11-35-21-10-13(8-19(30)23(21)24(15)31)36-12-7-18(29)22-16(27)5-6-34-20(22)9-12/h3-10,15,28-30H,11H2,1-2H3/t15-/m1/s1.
What are the key properties of 5-hydroxy-7-[[(3S)-5-hydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]chromen-4-one?
5-hydroxy-7-[[(3S)-5-hydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]chromen-4-one has a molecular weight of 492.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-[[(3S)-5-hydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]chromen-4-one is sourced from PubChem (CID 163054492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).