(Q105237302)

English

(1S,7E,9S,11E,13R,14S,16R,17S,18R,19S)-21-hydroxy-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.0¹,¹⁸.0¹⁴,¹⁶]henicosa-7,11,20-triene-2,5,6-trione

chemical compound

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instance of

type of chemical entity

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subclass of

19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-7,11-diene-2,5,6,21-tetrone

1 reference

based on heuristic

inferred from SMILES

mass

528.262422252 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,7Z,9R,11E,13S,14R,16S,17R,18S,19R)-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-7,11-diene-2,5,6,21-tetrone

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,7Z,9S,11Z,13R,14S,16R,17S,18R,19S)-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-7,11-diene-2,5,6,21-tetrone

1 reference

based on heuristic

inferred from InChI

(1S,7E,9S,11E,13R,14S,16R,17S,18R,19S)-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-7,11-diene-2,5,6,21-tetrone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₃₆N₂O₅

0 references

canonical SMILES

CC1=CC(C)CC=CC2C3OC3(C)C(C)C3C(Cc4c[nH]c5ccccc45)NC(=O)C23C(=O)CCC(=O)C1=O

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isomeric SMILES

C/C1=C\[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@]32C(=O)CCC(=O)C1=O

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found in taxon

Chaetomium

1 reference

stated in

Chaetoglobosins, cytotoxic 10-(indol-3-yl)-[13]cytochalasans from Chaetomium spp. I. Production, isolation and some cytological effects of chaetoglobosins A-J

Calonectria kyotensis

1 reference

stated in

Chaetoglobosin O and Other Phytotoxic Metabolites from Cylindrocladium floridanum, a Causal Fungus of Alfalfa Black Rot Disease.

Chaetomium globosum

2 references

stated in

Chaetoglobosin U, a cytochalasan alkaloid from endophytic Chaetomium globosum IFB-E019.

stated in

Bioactive metabolites produced by Chaetomium globosum, an endophytic fungus isolated from Ginkgo biloba

Identifiers

InChI

InChI=1S/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-11,14,16-17,19,22,24,27,29,33H,8,12-13,15H2,1-4H3,(H,34,38)/b10-7+,18-14+/t17-,19-,22-,24-,27-,29-,31+,32+/m0/s1

0 references

InChIKey

RIZAHVBYKWUPHQ-GNNSKLCBSA-N

0 references

CAS Registry Number

50645-76-6

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

26 December 2021

matched by identifier from

InChIKey

RIZAHVBYKWUPHQ-GNNSKLCBSA-N

SureChEMBL ID

SCHEMBL33586

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RIZAHVBYKWUPHQ-GNNSKLCBSA-N

1 reference

Natural Product Atlas ID

NPA017501

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RIZAHVBYKWUPHQ-GNNSKLCBSA-N

(Q105237302)

(1S,7E,9S,11E,13R,14S,16R,17S,18R,19S)-21-hydroxy-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.0¹,¹⁸.0¹⁴,¹⁶]henicosa-7,11,20-triene-2,5,6-trione

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