(Q125616594)

English

(3S,8aR)-3-[[(3S)-7,7-dimethyl-3-(2-methylbut-3-en-2-yl)-2-oxo-1H-pyrano[2,3-g]indol-3-yl]methyl]-8a-methoxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione

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instance of

type of chemical entity

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subclass of

chaetocin-like alkaloid

1 reference

based on heuristic

inferred from SMILES

mass

479.242021156 dalton

1 reference

1 reference

1 reference

C₂₇H₃₃N₃O₅

0 references

canonical SMILES

O=C1NC(C(=O)N2CCCC12OC)CC3(C(=O)NC4=C5C=CC(OC5=CC=C43)(C)C)C(C=C)(C)C

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isomeric SMILES

C=CC(C)(C)[C@]1(C[C@@H]2NC(=O)[C@]3(OC)CCCN3C2=O)C(=O)Nc2c1ccc1c2C=CC(C)(C)O1

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found in taxon

Aspergillus

1 reference

stated in

Bioactive indole alkaloids and phenyl ether derivatives from a marine-derived Aspergillus sp. Fungus.

Identifiers

InChI

InChI=1S/C27H33N3O5/c1-7-24(2,3)26(15-18-21(31)30-14-8-12-27(30,34-6)23(33)28-18)17-9-10-19-16(20(17)29-22(26)32)11-13-25(4,5)35-19/h7,9-11,13,18H,1,8,12,14-15H2,2-6H3,(H,28,33)(H,29,32)/t18-,26-,27+/m0/s1

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InChIKey

OCKJJINPDXBXCN-RHLLTPQKSA-N

0 references

2 references

26 April 2024

inferred from InChIKey

matched by identifier from

InChIKey

OCKJJINPDXBXCN-RHLLTPQKSA-N

(Q125616594)

(3S,8aR)-3-[[(3S)-7,7-dimethyl-3-(2-methylbut-3-en-2-yl)-2-oxo-1H-pyrano[2,3-g]indol-3-yl]methyl]-8a-methoxy-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione

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