(Q104389465)

English

(1R,2R,4R,5Z,12R,13R,16Z)-25-(9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol

chemical compound

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Statements

instance of

group of stereoisomers

0 references

subclass of

beta-carboline alkaloid

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manzamine alkaloid

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mass

548.351512028 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₄N₄O

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canonical SMILES

OC12C=C(C3=NC=CC=4C5=CC=CC=C5NC34)C6CCN(CCCCC=CCC1)CC76CC8C=CCCCCN8C27

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isomeric SMILES

O[C@@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@@H]3/C=C\CCCCN3[C@@H]21

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found in taxon

Amphimedon

5 references

stated in

Chiral resolution of (±)-keramaphidin B and isolation of manzamine L, a new β-carboline alkaloid from a sponge Amphimedon sp.

stated in

Keramaphidin B, a novel pentacyclic alkaloid from a marine sponge Amphimedon sp. : A plausible biogenetic precursor of manzamine alkaloids

stated in

6-Hydroxymanzamine A and 3,4-dihydromanzamine A, new alkaloids from the Okinawan marine sponge Amphimedon Sp

stated in

Ircinols A and B, first antipodes of manzamine-related alkaloids from an Okinawan marine sponge

stated in

Ma'eganedin A, a new manzamine alkaloid from Amphimedon sponge

Ircinia

1 reference

stated in

Ircinals A and B from the Okinawan marine sponge Ircinia sp.: plausible biogenetic precursors of manzamine alkaloids

Pachypellina

1 reference

stated in

8-Hydroxymanzamine A, a beta-carboline alkaloid from a sponge, Pachypellina sp

Xestospongia

1 reference

stated in

Four new β-carboline alkaloids isolated from two Okinawan marine sponges of Xestospongia sp. and Haliclona sp.)

Identifiers

InChI

InChI=1S/C36H44N4O/c41-36-18-10-4-1-2-5-11-20-39-22-17-30(35(25-39)23-26-13-7-3-6-12-21-40(26)34(35)36)29(24-36)32-33-28(16-19-37-32)27-14-8-9-15-31(27)38-33/h1,4,7-9,13-16,19,24,26,30,34,38,41H,2-3,5-6,10-12,17-18,20-23,25H2/b4-1-,13-7-/t26-,30-,34+,35-,36+/m0/s1

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InChIKey

FUCSLKWLLSEMDQ-ARPZDLDPSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

FUCSLKWLLSEMDQ-ARPZDLDPSA-N

1 reference

(Q104389465)

(1R,2R,4R,5Z,12R,13R,16Z)-25-(9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol

Statements

Identifiers

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