(Q105140164)

English

(3S)-3beta-[[2-(1,1-Dimethyl-2-propenyl)-1H-indole-3-yl]methyl]-6-(3-methyl-2-butenyl)-2,3,4,5aalpha,6,10b,11,11aalpha-octahydro-10balpha-hydroxy-1H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione

chemical compound

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instance of

type of chemical entity

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subclass of

9-hydroxy-16-(3-methylbut-2-enyl)-4-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione

1 reference

based on heuristic

inferred from SMILES

mass

524.278741012 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₃₆N₄O₃

0 references

canonical SMILES

C=CC(C)(C)c1[nH]c2ccccc2c1CC1NC(=O)C2CC3(O)c4ccccc4N(CC=C(C)C)C3N2C1=O

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isomeric SMILES

C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@@H]2C[C@]3(O)c4ccccc4N(CC=C(C)C)[C@@H]3N2C1=O

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found in taxon

Penicillium simplicissimum

1 reference

stated in

New Okaramine Congeners, Okamines J, K, L, M and Related Compounds, fromPenicillium simplicissimumATCC 90288

Identifiers

InChI

InChI=1S/C32H36N4O3/c1-6-31(4,5)27-21(20-11-7-9-13-23(20)33-27)17-24-29(38)36-26(28(37)34-24)18-32(39)22-12-8-10-14-25(22)35(30(32)36)16-15-19(2)3/h6-15,24,26,30,33,39H,1,16-18H2,2-5H3,(H,34,37)/t24-,26-,30+,32-/m0/s1

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InChIKey

KESCEDMDMWZDKC-RCSBEMJNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KESCEDMDMWZDKC-RCSBEMJNSA-N

1 reference

(Q105140164)

(3S)-3beta-[[2-(1,1-Dimethyl-2-propenyl)-1H-indole-3-yl]methyl]-6-(3-methyl-2-butenyl)-2,3,4,5aalpha,6,10b,11,11aalpha-octahydro-10balpha-hydroxy-1H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione

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