(Q105156057)

English

[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] (6Z,9Z)-octadeca-6,9-dienoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2,6-dimethyloctane monoterpenoid

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biogenic naphthochinone

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mass

550.329439192 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] octadeca-6,9-dienoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₄H₄₆O₆

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canonical SMILES

O=C1C=C(C(=O)C=2C(O)=CC=C(O)C12)C(OC(=O)CCCCC=CCC=CCCCCCCCC)CC=C(C)C

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isomeric SMILES

CCCCCCCC/C=C\C/C=C\CCCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O

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found in taxon

Lithospermum erythrorhizon

1 reference

stated in

Human ACAT inhibitory effects of shikonin derivatives from Lithospermum erythrorhizon.

Identifiers

InChI

InChI=1S/C34H46O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(38)40-30(23-20-25(2)3)26-24-29(37)32-27(35)21-22-28(36)33(32)34(26)39/h11-12,14-15,20-22,24,30,35-36H,4-10,13,16-19,23H2,1-3H3/b12-11-,15-14-/t30-/m1/s1

0 references

InChIKey

LRCJVQJYXQCXDX-PNURKKAPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LRCJVQJYXQCXDX-PNURKKAPSA-N

1 reference

(Q105156057)

[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] (6Z,9Z)-octadeca-6,9-dienoate

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Identifiers

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