7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one

C23H24O11 — CID 74977890

IUPAC7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
SMILESCOc1cc(-c2cc(=O)c3c(OC4OC(C)C(O)C(O)C4O)c(OC)c(O)cc3o2)ccc1O
InChIInChI=1S/C23H24O11/c1-9-18(27)19(28)20(29)23(32-9)34-22-17-12(25)7-14(10-4-5-11(24)15(6-10)30-2)33-16(17)8-13(26)21(22)31-3/h4-9,18-20,23-24,26-29H,1-3H3
InChIKeyWUKBFIRBKFQFOI-UHFFFAOYSA-N
MW476.43 g/mol
LogP1.09
Rot. Bonds5

About 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one

7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one (PubChem CID 74977890) has the molecular formula C23H24O11 and a molecular weight of 476.43 g/mol. Its IUPAC name is 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
PubChem CID74977890
Molecular FormulaC23H24O11
Molecular Weight476.43 g/mol
Exact Mass476.13
IUPAC Name7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
SMILESCOc1cc(-c2cc(=O)c3c(OC4OC(C)C(O)C(O)C4O)c(OC)c(O)cc3o2)ccc1O
InChIInChI=1S/C23H24O11/c1-9-18(27)19(28)20(29)23(32-9)34-22-17-12(25)7-14(10-4-5-11(24)15(6-10)30-2)33-16(17)8-13(26)21(22)31-3/h4-9,18-20,23-24,26-29H,1-3H3
InChIKeyWUKBFIRBKFQFOI-UHFFFAOYSA-N
XLogP1.09
TPSA168.28 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.43
LogP ≤ 51.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

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Related Compounds

2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
CID 23304594
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one
CID 10366269
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2R,3S,4S,6S)-4-hydroxy-6-methyl-5-oxo-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]chromen-4-one
CID 162922557
5-hydroxy-2-[3-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-7-methoxychromen-4-one
CID 162945926
5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 163071878
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
CID 163020932
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
CID 163020933
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
CID 163020934
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
CID 14375134
5-hydroxy-2-[3-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 74977806
7-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 163045216
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
CID 11968946

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one?
The IUPAC name of 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one (CID 74977890) is 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one.
What is the SMILES notation for 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one?
The canonical SMILES for 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one is COc1cc(-c2cc(=O)c3c(OC4OC(C)C(O)C(O)C4O)c(OC)c(O)cc3o2)ccc1O.
What is the InChIKey of 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one?
The InChIKey is WUKBFIRBKFQFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O11/c1-9-18(27)19(28)20(29)23(32-9)34-22-17-12(25)7-14(10-4-5-11(24)15(6-10)30-2)33-16(17)8-13(26)21(22)31-3/h4-9,18-20,23-24,26-29H,1-3H3.
What are the key properties of 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one?
7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one has a molecular weight of 476.43 g/mol, XLogP of 1.09, 5 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one is sourced from PubChem (CID 74977890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).