(Q105142676)

English

(1S,2S,10R,11R)-5,14-bis[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-21,24-dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,17-hexaene

chemical compound

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instance of

type of chemical entity

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subclass of

21,24-Dimethyl-5,14-bis(3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl)-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,17-hexaene

1 reference

based on heuristic

inferred from SMILES

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)CCC57C8NC=9C(=CC=CC9C67CCN8C)C%10%11C=%12C=CC=CC%12NC%11N(C)CC%10

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isomeric SMILES

CN1CC[C@@]23c4cccc([C@]56CCN(C)[C@H]5Nc5ccccc56)c4N[C@@H]1[C@]21CCN(C)[C@H]3Nc2c1cccc2[C@]12CCN(C)[C@H]1Nc1ccccc12

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found in taxon

Psychotria oleoides

1 reference

stated in

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

Eumachia oleoides

1 reference

stated in

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

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)47-39-44-22-26-52(4)40(43(31,44)21-25-51(39)3)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

KLLGRILFQYUSTE-BDLMFLBTSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

KLLGRILFQYUSTE-BDLMFLBTSA-N

1 reference

(Q105142676)

(1S,2S,10R,11R)-5,14-bis[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-21,24-dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,17-hexaene

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