(Q104951651)

English

(1R,2R,4R,12R,13S)-25-(6-hydroxy-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

type of chemical entity

0 references

subclass of

beta-carboline alkaloid

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manzamine alkaloid

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mass

564.346426648 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₆H₄₄N₄O₂

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canonical SMILES

OC1=CC=C2NC=3C(=NC=CC3C2=C1)C4=CC5(O)CCC=CCCCCN6CCC4C7(C6)CC8C=CCCCCN8C57

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isomeric SMILES

Oc1ccc2[nH]c3c(C4=C[C@@]5(O)CCC=CCCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1

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found in taxon

Haliclona

1 reference

stated in

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

Acanthostrongylophora

1 reference

stated in

Manzamine B and E and ircinal A related alkaloids from an Indonesian Acanthostrongylophora sponge and their activity against infectious, tropical parasitic, and Alzheimer's diseases

Identifiers

InChI

InChI=1S/C36H44N4O2/c41-26-12-13-31-28(21-26)27-14-17-37-32(33(27)38-31)29-23-36(42)16-8-4-1-2-5-9-18-39-20-15-30(29)35(24-39)22-25-11-7-3-6-10-19-40(25)34(35)36/h1,4,7,11-14,17,21,23,25,30,34,38,41-42H,2-3,5-6,8-10,15-16,18-20,22,24H2/t25-,30-,34+,35-,36-/m0/s1

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InChIKey

CANRNZBVKKQKEQ-LGYUSQRSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CANRNZBVKKQKEQ-LGYUSQRSSA-N

(Q104951651)

(1R,2R,4R,12R,13S)-25-(6-hydroxy-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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