3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one

C20H16O6 — CID 10315987

IUPAC3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
SMILESCC(C)=CC1Oc2cc(O)ccc2-c2oc3cc(O)cc(O)c3c(=O)c21
InChIInChI=1S/C20H16O6/c1-9(2)5-15-18-19(24)17-13(23)6-11(22)8-16(17)26-20(18)12-4-3-10(21)7-14(12)25-15/h3-8,15,21-23H,1-2H3
InChIKeyVHNPAPHWKVLGHG-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.98
Rot. Bonds1

About 3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one

3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one (PubChem CID 10315987) has the molecular formula C20H16O6 and a molecular weight of 352.34 g/mol. Its IUPAC name is 3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one.

Molecular Properties

Compound Name3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
PubChem CID10315987
Molecular FormulaC20H16O6
Molecular Weight352.34 g/mol
Exact Mass352.09
IUPAC Name3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
SMILESCC(C)=CC1Oc2cc(O)ccc2-c2oc3cc(O)cc(O)c3c(=O)c21
InChIInChI=1S/C20H16O6/c1-9(2)5-15-18-19(24)17-13(23)6-11(22)8-16(17)26-20(18)12-4-3-10(21)7-14(12)25-15/h3-8,15,21-23H,1-2H3
InChIKeyVHNPAPHWKVLGHG-UHFFFAOYSA-N
XLogP3.98
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 70292403
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CID 135027990
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(5R)-5-(2,6-dimethylhepta-1,5-dienyl)-3,4,8,10-tetrahydroxy-2-(3-methylbut-2-enyl)-5H-isochromeno[4,3-b]chromen-7-one
CID 163093023
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2-(hydroxymethyl)chromen-4-one
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CID 5280862
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Frequently Asked Questions

What is the IUPAC name of 3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one?
The IUPAC name of 3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one (CID 10315987) is 3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one.
What is the SMILES notation for 3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one?
The canonical SMILES for 3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one is CC(C)=CC1Oc2cc(O)ccc2-c2oc3cc(O)cc(O)c3c(=O)c21.
What is the InChIKey of 3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one?
The InChIKey is VHNPAPHWKVLGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O6/c1-9(2)5-15-18-19(24)17-13(23)6-11(22)8-16(17)26-20(18)12-4-3-10(21)7-14(12)25-15/h3-8,15,21-23H,1-2H3.
What are the key properties of 3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one?
3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one has a molecular weight of 352.34 g/mol, XLogP of 3.98, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8,10-trihydroxy-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one is sourced from PubChem (CID 10315987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).