(Q105340363)

English

(3aS,8aS)-7-[(3aR,8aR)-1-methyl-2H,3H,8H,8aH-pyrrolo[2,3-b]indol-3a-yl]-3a-[(3aR,8aR)-7-[(3aR,8aR)-1-methyl-2H,3H,8H,8aH-pyrrolo[2,3-b]indol-3a-yl]-1-methyl-2H,3H,8H,8aH-pyrrolo[2,3-b]indol-3a-yl]-1-methyl-2H,3H,8H,8aH-pyrrolo[2,3-b]indole

chemical compound

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instance of

type of chemical entity

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subclass of

cyclotryptamine alkaloid

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mass

690.4158436 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₄H₅₀N₈

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canonical SMILES

C=1C=CC2=C(C1)NC3N(C)CCC23C4=CC=CC5=C4NC6N(C)CCC56C78C=9C=CC=C(C9NC8N(C)CC7)C%10%11C=%12C=CC=CC%12NC%11N(C)CC%10

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isomeric SMILES

CN1CC[C@@]2([C@]34CCN(C)[C@H]3Nc3c([C@]56CCN(C)[C@H]5Nc5ccccc56)cccc34)c3cccc([C@]45CCN(C)[C@H]4Nc4ccccc45)c3N[C@@H]12

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found in taxon

Psychotria oleoides

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stated in

Psycholeine, a natural alkaloid extracted from Psychotria oleoides, acts as a weak antagonist of somatostatin

stated in

Pyrrolidinoindoline alkaloids from Psychotria oleoides and Psychotria lyciiflora

Eumachia oleoides

2 references

stated in

Pyrrolidinoindoline alkaloids from Psychotria oleoides and Psychotria lyciiflora

stated in

Psycholeine, a natural alkaloid extracted from Psychotria oleoides, acts as a weak antagonist of somatostatin

Eumachia frutescens

1 reference

stated in

Quadrigemines-A and-B, two minor alkaloids of Hodgkinsonia frutescens F. Muell

Palicourea colorata

1 reference

stated in

Pyrrolidinoindoline Alkaloids from Psychotria colorata1

Identifiers

InChI

InChI=1S/C44H50N8/c1-49-23-19-41(27-11-5-7-17-33(27)45-37(41)49)29-13-9-15-31-35(29)47-39-43(31,21-25-51(39)3)44-22-26-52(4)40(44)48-36-30(14-10-16-32(36)44)42-20-24-50(2)38(42)46-34-18-8-6-12-28(34)42/h5-18,37-40,45-48H,19-26H2,1-4H3/t37-,38-,39-,40+,41-,42-,43+,44-/m1/s1

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InChIKey

XRCKDTICIIHERM-YHSBXVOVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XRCKDTICIIHERM-YHSBXVOVSA-N

1 reference

(Q105340363)

(3aS,8aS)-7-[(3aR,8aR)-1-methyl-2H,3H,8H,8aH-pyrrolo[2,3-b]indol-3a-yl]-3a-[(3aR,8aR)-7-[(3aR,8aR)-1-methyl-2H,3H,8H,8aH-pyrrolo[2,3-b]indol-3a-yl]-1-methyl-2H,3H,8H,8aH-pyrrolo[2,3-b]indol-3a-yl]-1-methyl-2H,3H,8H,8aH-pyrrolo[2,3-b]indole

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