7-hydroxy-2-(2-phenylethyl)-6-[[(6S,7R)-6,7,8-trihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one

C34H30O9 — CID 5320527

IUPAC7-hydroxy-2-(2-phenylethyl)-6-[[(6S,7R)-6,7,8-trihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one
SMILESO=c1cc(CCc2ccccc2)oc2c1C(Oc1cc3c(=O)cc(CCc4ccccc4)oc3cc1O)[C@@H](O)[C@@H](O)C2O
InChIInChI=1S/C34H30O9/c35-24-15-21(13-11-19-7-3-1-4-8-19)41-27-18-25(36)28(17-23(24)27)43-34-29-26(37)16-22(14-12-20-9-5-2-6-10-20)42-33(29)31(39)30(38)32(34)40/h1-10,15-18,30-32,34,36,38-40H,11-14H2/t30-,31?,32-,34?/m0/s1
InChIKeyMVYHDKFAVRZLQI-LXWJTEAESA-N
MW582.61 g/mol
LogP3.91
Rot. Bonds8

About 7-hydroxy-2-(2-phenylethyl)-6-[[(6S,7R)-6,7,8-trihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one

7-hydroxy-2-(2-phenylethyl)-6-[[(6S,7R)-6,7,8-trihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one (PubChem CID 5320527) has the molecular formula C34H30O9 and a molecular weight of 582.61 g/mol. Its IUPAC name is 7-hydroxy-2-(2-phenylethyl)-6-[[(6S,7R)-6,7,8-trihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-(2-phenylethyl)-6-[[(6S,7R)-6,7,8-trihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one
PubChem CID5320527
Molecular FormulaC34H30O9
Molecular Weight582.61 g/mol
Exact Mass582.19
IUPAC Name7-hydroxy-2-(2-phenylethyl)-6-[[(6S,7R)-6,7,8-trihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one
SMILESO=c1cc(CCc2ccccc2)oc2c1C(Oc1cc3c(=O)cc(CCc4ccccc4)oc3cc1O)[C@@H](O)[C@@H](O)C2O
InChIInChI=1S/C34H30O9/c35-24-15-21(13-11-19-7-3-1-4-8-19)41-27-18-25(36)28(17-23(24)27)43-34-29-26(37)16-22(14-12-20-9-5-2-6-10-20)42-33(29)31(39)30(38)32(34)40/h1-10,15-18,30-32,34,36,38-40H,11-14H2/t30-,31?,32-,34?/m0/s1
InChIKeyMVYHDKFAVRZLQI-LXWJTEAESA-N
XLogP3.91
TPSA150.57 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.61
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 7-hydroxy-2-(2-phenylethyl)-6-[[(6S,7R)-6,7,8-trihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(2-phenylethyl)-6-[[(6S,7R)-6,7,8-trihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one?
The IUPAC name of 7-hydroxy-2-(2-phenylethyl)-6-[[(6S,7R)-6,7,8-trihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one (CID 5320527) is 7-hydroxy-2-(2-phenylethyl)-6-[[(6S,7R)-6,7,8-trihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one.
What is the SMILES notation for 7-hydroxy-2-(2-phenylethyl)-6-[[(6S,7R)-6,7,8-trihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one?
The canonical SMILES for 7-hydroxy-2-(2-phenylethyl)-6-[[(6S,7R)-6,7,8-trihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one is O=c1cc(CCc2ccccc2)oc2c1C(Oc1cc3c(=O)cc(CCc4ccccc4)oc3cc1O)[C@@H](O)[C@@H](O)C2O.
What is the InChIKey of 7-hydroxy-2-(2-phenylethyl)-6-[[(6S,7R)-6,7,8-trihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one?
The InChIKey is MVYHDKFAVRZLQI-LXWJTEAESA-N. The full InChI is InChI=1S/C34H30O9/c35-24-15-21(13-11-19-7-3-1-4-8-19)41-27-18-25(36)28(17-23(24)27)43-34-29-26(37)16-22(14-12-20-9-5-2-6-10-20)42-33(29)31(39)30(38)32(34)40/h1-10,15-18,30-32,34,36,38-40H,11-14H2/t30-,31?,32-,34?/m0/s1.
What are the key properties of 7-hydroxy-2-(2-phenylethyl)-6-[[(6S,7R)-6,7,8-trihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one?
7-hydroxy-2-(2-phenylethyl)-6-[[(6S,7R)-6,7,8-trihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one has a molecular weight of 582.61 g/mol, XLogP of 3.91, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(2-phenylethyl)-6-[[(6S,7R)-6,7,8-trihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one is sourced from PubChem (CID 5320527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).