(+)-(8R,8'R)-4-hydroxy-5-methoxy-1',2',3',4',5',6'-hexanor-2,7'-cyclolignan-7'-one (Q27136646)

CHEBI:68156 (English)

(+)-(8S,8'R)-4-hydroxy-5-methoxy-1',2',3',4',5',6'-hexanor-2,7'-cyclolignan-7'-one

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₃H₁₆O₃

1 reference

CHEBI:68156 (English)

7 October 2016

canonical SMILES

CC1CC2=CC(=C(C=C2C(=O)C1C)O)OC

1 reference

CHEBI:68156 (English)

7 October 2016

isomeric SMILES

C[C@@H]1CC2=CC(=C(C=C2C(=O)[C@@H]1C)O)OC

1 reference

Bioactive neolignans and lignans from the bark of Machilus robusta

CHEBI:68156 (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C13H16O3/c1-7-4-9-5-12(16-3)11(14)6-10(9)13(15)8(7)2/h5-8,14H,4H2,1-3H3/t7-,8-/m1/s1

1 reference

CHEBI:68156 (English)

QRXKBYPNTKDXIG-HTQZYQBOSA-N

7 October 2016

InChIKey

2 references

CHEBI:68156 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R,3R)-7-Hydroxy-6-methoxy-2,3-dimethyl-3,4-dihydro-1(2H)-naphthalenone (English)

7 October 2016

2 references

CHEBI:68156 (English)

matched by identifier from

7 October 2016

InChIKey

QRXKBYPNTKDXIG-HTQZYQBOSA-N

Reaxys registry number

21646969

1 reference

(+)-(8R,8'R)-4-hydroxy-5-methoxy-1',2',3',4',5',6'-hexanor-2,7'-cyclolignan-7'-one (English)

7 October 2016

ChEBI ID

68156

mapping relation type

2 references

(+)-(8R,8'R)-4-hydroxy-5-methoxy-1',2',3',4',5',6'-hexanor-2,7'-cyclolignan-7'-one (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C13H16O3/c1-7-4-9-5-12(16-3)11(14)6-10(9)13(15)8(7)2/h5-8,14H,4H2,1-3H3/t7-,8-/m1/s1

1 reference