(Q27134165)

CHEMBL464609 (English)

(2R)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₂₈O₆

1 reference

CHEMBL464609 (English)

7 October 2016

canonical SMILES

CC(=CCC1=C2C(=C3C(=C1O)C(=O)CC(O3)C4=CC(=C(C=C4)O)OC)C=CC(O2)(C)C)C

1 reference

CHEMBL464609 (English)

7 October 2016

isomeric SMILES

CC(=CCC1=C2C(=C3C(=C1O)C(=O)C[C@H](O3)C4=CC(=C(C=C4)O)OC)C=CC(O2)(C)C)C

1 reference

CHEMBL464609 (English)

InChI=1S/C26H28O6/c1-14(2)6-8-16-23(29)22-19(28)13-20(15-7-9-18(27)21(12-15)30-5)31-25(22)17-10-11-26(3,4)32-24(16)17/h6-7,9-12,20,27,29H,8,13H2,1-5H3/t20-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

CHEMBL464609 (English)

KCZWDIXZSAGPCD-FQEVSTJZSA-N

7 October 2016

InChIKey

2 references

CHEMBL464609 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S)-5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H,8H-pyrano[2,3-f]chromen-4-one (English)

7 October 2016

2 references

CHEMBL464609 (English)

matched by identifier from

7 October 2016

InChIKey

KCZWDIXZSAGPCD-FQEVSTJZSA-N

Reaxys registry number

8293113

1 reference

(2S)-6-(gamma,gamma-dimethylallyl)-5,4'-dihydroxy-3'-methoxy-6'',6''-dimethylpyran[2'',3'':7,8]flavanone (English)

7 October 2016

ChEBI ID

65682

mapping relation type

2 references

(2S)-6-(gamma,gamma-dimethylallyl)-5,4'-dihydroxy-3'-methoxy-6'',6''-dimethylpyran[2'',3'':7,8]flavanone (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C26H28O6/c1-14(2)6-8-16-23(29)22-19(28)13-20(15-7-9-18(27)21(12-15)30-5)31-25(22)17-10-11-26(3,4)32-24(16)17/h6-7,9-12,20,27,29H,8,13H2,1-5H3/t20-/m0/s1

1 reference