(Q105287028)

English

(2E)-2-Methyl-5-[2,3beta-dimethyloxirane-2alpha-yl]-2-pentenoic acid [(3R)-2,2-dimethyl-5,10-dioxo-3,4,5,10-tetrahydro-2H-naphtho[2,3-b]pyran]-3alpha-yl ester

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2,2-dimethyl-5,10-dioxo-3H,4H-naphtho[2,3-b]pyran-3-yl 5-(2,3-dimethyloxiran-2-yl)-2-methylpent-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

424.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₂₈O₆

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canonical SMILES

O=C(OC1CC=2C(=O)C=3C=CC=CC3C(=O)C2OC1(C)C)C(=CCCC4(OC4C)C)C

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isomeric SMILES

C/C(=C\CC[C@@]1(C)O[C@@H]1C)C(=O)O[C@@H]1CC2=C(OC1(C)C)C(=O)c1ccccc1C2=O

0 references

found in taxon

Rhinacanthus nasutus

2 references

stated in

Rhinacanthin-Q, a naphthoquinone from Rhinacanthus nasutus and its biological activity

stated in

Naphthoquinone esters from the root of Rhinacanthus nasutus

Identifiers

InChI

InChI=1S/C25H28O6/c1-14(9-8-12-25(5)15(2)30-25)23(28)29-19-13-18-20(26)16-10-6-7-11-17(16)21(27)22(18)31-24(19,3)4/h6-7,9-11,15,19H,8,12-13H2,1-5H3/b14-9+/t15-,19-,25-/m1/s1

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InChIKey

VIUNEGYJQLVYDH-AUVQTDMSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VIUNEGYJQLVYDH-AUVQTDMSSA-N

1 reference

(Q105287028)

(2E)-2-Methyl-5-[2,3beta-dimethyloxirane-2alpha-yl]-2-pentenoic acid [(3R)-2,2-dimethyl-5,10-dioxo-3,4,5,10-tetrahydro-2H-naphtho[2,3-b]pyran]-3alpha-yl ester

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Identifiers

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