(Q105117457)

English

(2S)-5,7-dihydroxy-6-[(E)-6-hydroxy-7-methoxy-3,7-dimethyloct-2-enyl]-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one

group of stereoisomers with the chemical formula C₂₇H₃₄O₈

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Statements

instance of

group of stereoisomers

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subclass of

2,6-dimethyloctane monoterpenoid

1 reference

inferred from

2,6-dimethyloctane monoterpenoid

6C-substituted flavanone

1 reference

inferred from

6C-substituted flavanone

mass

486.225368048 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₄O₈

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canonical SMILES

O=C1C2=C(O)C(=C(O)C=C2OC(C3=CC=C(O)C(OC)=C3)C1)CC=C(C)CCC(O)C(OC)(C)C

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isomeric SMILES

COc1cc([C@@H]2CC(=O)c3c(cc(O)c(C/C=C(\C)CCC(O)C(C)(C)OC)c3O)O2)ccc1O

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found in taxon

Paulownia tomentosa

1 reference

stated in

C-Geranylated Flavanones from Paulownia tomentosa Fruits as Potential Anti-inflammatory Compounds Acting via Inhibition of TNF-α Production

Identifiers

InChI

InChI=1S/C27H34O8/c1-15(7-11-24(31)27(2,3)34-5)6-9-17-19(29)13-23-25(26(17)32)20(30)14-21(35-23)16-8-10-18(28)22(12-16)33-4/h6,8,10,12-13,21,24,28-29,31-32H,7,9,11,14H2,1-5H3/b15-6+/t21-,24?/m0/s1

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InChIKey

IPSAJBVTBHIOPK-QFKXSIOCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IPSAJBVTBHIOPK-QFKXSIOCSA-N

1 reference

(Q105117457)

(2S)-5,7-dihydroxy-6-[(E)-6-hydroxy-7-methoxy-3,7-dimethyloct-2-enyl]-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one

Statements

Identifiers

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