5,7-dihydroxy-3-[(3R)-3-hydroxy-5,6-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]chromen-4-one

C22H22O8 — CID 163032460

IUPAC5,7-dihydroxy-3-[(3R)-3-hydroxy-5,6-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]chromen-4-one
SMILESCOc1cc(-c2coc3cc(O)cc(O)c3c2=O)c2c(c1OC)C[C@@H](O)C(C)(C)O2
InChIInChI=1S/C22H22O8/c1-22(2)17(25)8-12-20(30-22)11(7-16(27-3)21(12)28-4)13-9-29-15-6-10(23)5-14(24)18(15)19(13)26/h5-7,9,17,23-25H,8H2,1-4H3/t17-/m1/s1
InChIKeyHMSVODXGAMBTER-QGZVFWFLSA-N
MW414.41 g/mol
LogP2.96
Rot. Bonds3

About 5,7-dihydroxy-3-[(3R)-3-hydroxy-5,6-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]chromen-4-one

5,7-dihydroxy-3-[(3R)-3-hydroxy-5,6-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]chromen-4-one (PubChem CID 163032460) has the molecular formula C22H22O8 and a molecular weight of 414.41 g/mol. Its IUPAC name is 5,7-dihydroxy-3-[(3R)-3-hydroxy-5,6-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-3-[(3R)-3-hydroxy-5,6-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]chromen-4-one
PubChem CID163032460
Molecular FormulaC22H22O8
Molecular Weight414.41 g/mol
Exact Mass414.13
IUPAC Name5,7-dihydroxy-3-[(3R)-3-hydroxy-5,6-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]chromen-4-one
SMILESCOc1cc(-c2coc3cc(O)cc(O)c3c2=O)c2c(c1OC)C[C@@H](O)C(C)(C)O2
InChIInChI=1S/C22H22O8/c1-22(2)17(25)8-12-20(30-22)11(7-16(27-3)21(12)28-4)13-9-29-15-6-10(23)5-14(24)18(15)19(13)26/h5-7,9,17,23-25H,8H2,1-4H3/t17-/m1/s1
InChIKeyHMSVODXGAMBTER-QGZVFWFLSA-N
XLogP2.96
TPSA118.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(3R)-3,5-dihydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-5,7-dihydroxychromen-4-one
CID 162959961
3,5-dihydroxy-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one
CID 170983738
3-[(3S)-3,7-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-5-hydroxy-7-methoxychromen-4-one
CID 163067079
(3S)-3,5-dihydroxy-9-(4-hydroxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one
CID 125115313
7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
CID 632833
5,7-dihydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)chromen-4-one
CID 71459473
3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one
CID 46879792
3-hydroxy-5-(methoxymethoxy)-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one
CID 170983728
3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 162855951
(3S)-3,5-dihydroxy-7-(7-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
CID 162897017
5-hydroxy-3-(2-hydroxyphenyl)-6,7-dimethoxychromen-4-one
CID 5491550
3-hydroxy-5-methoxy-2,2,8-trimethyl-3,4,7,8-tetrahydropyrano[4,3-h]chromen-10-one
CID 131752232

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-[(3R)-3-hydroxy-5,6-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]chromen-4-one?
The IUPAC name of 5,7-dihydroxy-3-[(3R)-3-hydroxy-5,6-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]chromen-4-one (CID 163032460) is 5,7-dihydroxy-3-[(3R)-3-hydroxy-5,6-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-3-[(3R)-3-hydroxy-5,6-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-3-[(3R)-3-hydroxy-5,6-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]chromen-4-one is COc1cc(-c2coc3cc(O)cc(O)c3c2=O)c2c(c1OC)C[C@@H](O)C(C)(C)O2.
What is the InChIKey of 5,7-dihydroxy-3-[(3R)-3-hydroxy-5,6-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]chromen-4-one?
The InChIKey is HMSVODXGAMBTER-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H22O8/c1-22(2)17(25)8-12-20(30-22)11(7-16(27-3)21(12)28-4)13-9-29-15-6-10(23)5-14(24)18(15)19(13)26/h5-7,9,17,23-25H,8H2,1-4H3/t17-/m1/s1.
What are the key properties of 5,7-dihydroxy-3-[(3R)-3-hydroxy-5,6-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]chromen-4-one?
5,7-dihydroxy-3-[(3R)-3-hydroxy-5,6-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]chromen-4-one has a molecular weight of 414.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3-[(3R)-3-hydroxy-5,6-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]chromen-4-one is sourced from PubChem (CID 163032460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).