(Q105330312)

English

[(2R,3R,4S,5R,6S)-3,5-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

flavone

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mass

708.184291084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₃₂O₁₃

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canonical SMILES

O=C(OCC1OC(OC=2C=C(O)C=3C(=O)C=C(OC3C2)C=4C=CC(O)=CC4)C(O)C(OC(=O)C=CC5=CC=C(O)C=C5)C1O)C=CC=6C=CC=CC6

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isomeric SMILES

O=C(/C=C/c1ccccc1)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O

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found in taxon

Marrubium velutinum

1 reference

stated in

Identification of tyrosinase inhibitors from Marrubium velutinum and Marrubium cylleneum

Identifiers

InChI

InChI=1S/C39H32O13/c40-25-12-6-23(7-13-25)9-17-34(45)52-38-36(46)32(21-48-33(44)16-8-22-4-2-1-3-5-22)51-39(37(38)47)49-27-18-28(42)35-29(43)20-30(50-31(35)19-27)24-10-14-26(41)15-11-24/h1-20,32,36-42,46-47H,21H2/b16-8+,17-9+/t32-,36-,37-,38+,39-/m1/s1

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InChIKey

XLRROJNLELUHOS-FTJBIWNASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XLRROJNLELUHOS-FTJBIWNASA-N

1 reference

(Q105330312)

[(2R,3R,4S,5R,6S)-3,5-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate

Statements

Identifiers

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