(Q82908007)

English

(2R,11S)-5,14-Bis[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-19,24-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

group of stereoisomers with the chemical formula C₄₄H₅₀N₈

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Statements

instance of

group of stereoisomers

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subclass of

cyclotryptamine alkaloid

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inferred from

cyclotryptamine alkaloid

mass

690.4158436 dalton

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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=C4NC6NCC(C)C57C8NC=9C(=CC=CC9C67CCN8C)C%10%11C=%12C=CC=CC%12NC%11N(C)CC%10

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isomeric SMILES

CC1CN[C@H]2Nc3c(cccc3[C@]34CCN(C)[C@H]3Nc3ccccc34)C13[C@@H]1Nc4c(cccc4[C@]45CCN(C)[C@H]4Nc4ccccc45)C23CCN1C

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found in taxon

Psychotria oleoides

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stated in

Alkaloids from Psychotria oleoides with activity on growth hormone release

stated in

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

Eumachia oleoides

2 references

stated in

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

stated in

Alkaloids from Psychotria oleoides with activity on growth hormone release

Identifiers

InChI

InChI=1S/C44H50N8/c1-26-25-45-37-43-21-24-52(4)40(49-35-29(13-9-15-31(35)43)41-19-22-50(2)38(41)46-33-17-7-5-11-27(33)41)44(26,43)32-16-10-14-30(36(32)48-37)42-20-23-51(3)39(42)47-34-18-8-6-12-28(34)42/h5-18,26,37-40,45-49H,19-25H2,1-4H3/t26?,37-,38+,39+,40+,41+,42+,43?,44?/m0/s1

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InChIKey

HEDIOFZXUDVGEU-WATQSORBSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID801361007

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(Q82908007)

(2R,11S)-5,14-Bis[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-19,24-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

Statements

Identifiers

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