5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-3-enyl)phenyl]-6-(3-methylbut-3-enyl)chromen-4-one

C25H26O5 — CID 156697740

IUPAC5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-3-enyl)phenyl]-6-(3-methylbut-3-enyl)chromen-4-one
SMILESC=C(C)CCc1cc(-c2coc3cc(O)c(CCC(=C)C)c(O)c3c2=O)ccc1O
InChIInChI=1S/C25H26O5/c1-14(2)5-7-17-11-16(8-10-20(17)26)19-13-30-22-12-21(27)18(9-6-15(3)4)24(28)23(22)25(19)29/h8,10-13,26-28H,1,3,5-7,9H2,2,4H3
InChIKeyLZLHBQDGYHBEKN-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.59
Rot. Bonds7

About 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-3-enyl)phenyl]-6-(3-methylbut-3-enyl)chromen-4-one

5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-3-enyl)phenyl]-6-(3-methylbut-3-enyl)chromen-4-one (PubChem CID 156697740) has the molecular formula C25H26O5 and a molecular weight of 406.48 g/mol. Its IUPAC name is 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-3-enyl)phenyl]-6-(3-methylbut-3-enyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-3-enyl)phenyl]-6-(3-methylbut-3-enyl)chromen-4-one
PubChem CID156697740
Molecular FormulaC25H26O5
Molecular Weight406.48 g/mol
Exact Mass406.18
IUPAC Name5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-3-enyl)phenyl]-6-(3-methylbut-3-enyl)chromen-4-one
SMILESC=C(C)CCc1cc(-c2coc3cc(O)c(CCC(=C)C)c(O)c3c2=O)ccc1O
InChIInChI=1S/C25H26O5/c1-14(2)5-7-17-11-16(8-10-20(17)26)19-13-30-22-12-21(27)18(9-6-15(3)4)24(28)23(22)25(19)29/h8,10-13,26-28H,1,3,5-7,9H2,2,4H3
InChIKeyLZLHBQDGYHBEKN-UHFFFAOYSA-N
XLogP5.59
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,7-dihydroxy-3-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one
CID 11013649
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-fluoro-3-[4-hydroxy-3-(hydroxymethyl)phenyl]-6-methylchromen-4-one
CID 141110226
3-(3,4-dihydroxy-5-methylphenyl)-5,6,7-trihydroxychromen-4-one
CID 121449503
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-3-enyl)chromen-4-one
CID 175833714
3-(3,4-dihydroxyphenyl)-5-hydroxy-7-methylchromen-4-one
CID 143775868
3-[4-hydroxy-3-(hydroxymethyl)phenyl]-6-methyl-4-oxochromene-5-carbaldehyde
CID 141110262
2-(3-methylbut-3-enyl)benzene-1,4-diol
CID 23318481
(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
CID 66722646
CID 66722646
5,7-dihydroxy-3-(3-hydroxyphenyl)-6-methoxychromen-4-one
CID 70183681
calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride
CID 173012040

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-3-enyl)phenyl]-6-(3-methylbut-3-enyl)chromen-4-one?
The IUPAC name of 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-3-enyl)phenyl]-6-(3-methylbut-3-enyl)chromen-4-one (CID 156697740) is 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-3-enyl)phenyl]-6-(3-methylbut-3-enyl)chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-3-enyl)phenyl]-6-(3-methylbut-3-enyl)chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-3-enyl)phenyl]-6-(3-methylbut-3-enyl)chromen-4-one is C=C(C)CCc1cc(-c2coc3cc(O)c(CCC(=C)C)c(O)c3c2=O)ccc1O.
What is the InChIKey of 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-3-enyl)phenyl]-6-(3-methylbut-3-enyl)chromen-4-one?
The InChIKey is LZLHBQDGYHBEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O5/c1-14(2)5-7-17-11-16(8-10-20(17)26)19-13-30-22-12-21(27)18(9-6-15(3)4)24(28)23(22)25(19)29/h8,10-13,26-28H,1,3,5-7,9H2,2,4H3.
What are the key properties of 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-3-enyl)phenyl]-6-(3-methylbut-3-enyl)chromen-4-one?
5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-3-enyl)phenyl]-6-(3-methylbut-3-enyl)chromen-4-one has a molecular weight of 406.48 g/mol, XLogP of 5.59, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-3-enyl)phenyl]-6-(3-methylbut-3-enyl)chromen-4-one is sourced from PubChem (CID 156697740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).