(Q105248968)

English

(7R)-3-[(1E,3E,5S)-3,5-Dimethyl-1,3-heptadienyl]-5-chloro-6,8-dioxo-7-methyl-7-acetoxy-2,6,7,8-tetrahydroisoquinoline-2-butyric acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

4-[7-(acetyloxy)-5-chloro-3-(3,5-dimethylhepta-1,3-dien-1-yl)-7-methyl-6,8-dioxoisoquinolin-2-yl]butanoic acid

1 reference

based on heuristic

inferred from SMILES

475.17616536 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Penazaphilone I

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

4-[(7S)-7-acetyloxy-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]butanoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₀ClNO₆

0 references

canonical SMILES

O=C(OC1(C(=O)C(Cl)=C2C=C(C=CC(=CC(C)CC)C)N(C=C2C1=O)CCCC(=O)O)C)C

0 references

isomeric SMILES

CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O

0 references

1 reference

Isochromophilone IX, a Novel GABA-Containing Metabolite Isolated from a Cultured Fungus, Penicillium sp.

Identifiers

InChI=1S/C25H30ClNO6/c1-6-15(2)12-16(3)9-10-18-13-19-20(14-27(18)11-7-8-21(29)30)23(31)25(5,33-17(4)28)24(32)22(19)26/h9-10,12-15H,6-8,11H2,1-5H3,(H,29,30)/b10-9+,16-12+/t15-,25+/m0/s1

0 references

SAMXBYLRDCRTCV-ZPVXUDNESA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

SAMXBYLRDCRTCV-ZPVXUDNESA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C25H30ClNO6/c1-6-15(2)12-16(3)9-10-18-13-19-20(14-27(18)11-7-8-21(29)30)23(31)25(5,33-17(4)28)24(32)22(19)26/h9-10,12-15H,6-8,11H2,1-5H3,(H,29,30)/b10-9+,16-12+/t15-,25+/m0/s1

UniChem compound ID

1 reference

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

SAMXBYLRDCRTCV-ZPVXUDNESA-N

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

SAMXBYLRDCRTCV-ZPVXUDNESA-N

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