(3S)-3,5-dihydroxy-7-(7-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one

C25H24O7 — CID 162897017

IUPAC(3S)-3,5-dihydroxy-7-(7-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
SMILESCC1(C)C=Cc2cc(-c3coc4cc5c(c(O)c4c3=O)C[C@H](O)C(C)(C)O5)c(O)cc2O1
InChIInChI=1S/C25H24O7/c1-24(2)6-5-12-7-13(16(26)9-17(12)31-24)15-11-30-19-10-18-14(22(28)21(19)23(15)29)8-20(27)25(3,4)32-18/h5-7,9-11,20,26-28H,8H2,1-4H3/t20-/m0/s1
InChIKeyPMEVOTIFTLKYSQ-FQEVSTJZSA-N
MW436.46 g/mol
LogP4.13
Rot. Bonds1

About (3S)-3,5-dihydroxy-7-(7-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one

(3S)-3,5-dihydroxy-7-(7-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one (PubChem CID 162897017) has the molecular formula C25H24O7 and a molecular weight of 436.46 g/mol. Its IUPAC name is (3S)-3,5-dihydroxy-7-(7-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one.

Molecular Properties

Compound Name(3S)-3,5-dihydroxy-7-(7-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
PubChem CID162897017
Molecular FormulaC25H24O7
Molecular Weight436.46 g/mol
Exact Mass436.15
IUPAC Name(3S)-3,5-dihydroxy-7-(7-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
SMILESCC1(C)C=Cc2cc(-c3coc4cc5c(c(O)c4c3=O)C[C@H](O)C(C)(C)O5)c(O)cc2O1
InChIInChI=1S/C25H24O7/c1-24(2)6-5-12-7-13(16(26)9-17(12)31-24)15-11-30-19-10-18-14(22(28)21(19)23(15)29)8-20(27)25(3,4)32-18/h5-7,9-11,20,26-28H,8H2,1-4H3/t20-/m0/s1
InChIKeyPMEVOTIFTLKYSQ-FQEVSTJZSA-N
XLogP4.13
TPSA109.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
CID 632833
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
3-[(3R)-3,5-dihydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-5,7-dihydroxychromen-4-one
CID 162959961
7-(3,4-dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
CID 101405688
3-hydroxy-7-(5-methoxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
CID 4587968
7-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
CID 14237658
5,7-dihydroxy-3-[(3R)-3-hydroxy-5,6-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl]chromen-4-one
CID 163032460
3,5-dihydroxy-9-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one
CID 170983738
(3S)-3,5-dihydroxy-2,2-dimethyl-6-oxo-3,4-dihydropyrano[3,2-g]chromene-8-carboxylic acid
CID 163409654
5,7-dihydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one
CID 5481948
10-hydroxy-7-(2-hydroxypropan-2-yl)-17,17-dimethyl-2,6,18-trioxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1(13),3,5(9),10,14(19),15,20-heptaen-12-one
CID 162936254

Frequently Asked Questions

What is the IUPAC name of (3S)-3,5-dihydroxy-7-(7-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one?
The IUPAC name of (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) is (3S)-3,5-dihydroxy-7-(7-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one.
What is the SMILES notation for (3S)-3,5-dihydroxy-7-(7-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one?
The canonical SMILES for (3S)-3,5-dihydroxy-7-(7-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one is CC1(C)C=Cc2cc(-c3coc4cc5c(c(O)c4c3=O)C[C@H](O)C(C)(C)O5)c(O)cc2O1.
What is the InChIKey of (3S)-3,5-dihydroxy-7-(7-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one?
The InChIKey is PMEVOTIFTLKYSQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H24O7/c1-24(2)6-5-12-7-13(16(26)9-17(12)31-24)15-11-30-19-10-18-14(22(28)21(19)23(15)29)8-20(27)25(3,4)32-18/h5-7,9-11,20,26-28H,8H2,1-4H3/t20-/m0/s1.
What are the key properties of (3S)-3,5-dihydroxy-7-(7-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one?
(3S)-3,5-dihydroxy-7-(7-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one has a molecular weight of 436.46 g/mol, XLogP of 4.13, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,5-dihydroxy-7-(7-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one is sourced from PubChem (CID 162897017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).