(Q105007798)

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Cohibin A

chemical compound

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instance of

type of chemical entity

0 references

subclass of

4-[(Z,13R,14R)-13,14-dihydroxytriacont-17-enyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

4-[(Z)-13,14-dihydroxytriacont-17-enyl]-2-methyl-2H-uran-5-one

1 reference

based on heuristic

inferred from SMILES

4-(13,14-dihydroxytriacont-17-enyl)-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

548.480460528 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R)-4-[(Z,13S,14S)-13,14-dihydroxytriacont-17-enyl]-2-methyl-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₅H₆₄O₄

0 references

canonical SMILES

O=C1OC(C=C1CCCCCCCCCCCCC(O)C(O)CCC=CCCCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCCCC/C=C\CC[C@@H](O)[C@H](O)CCCCCCCCCCCCC1=C[C@H](C)OC1=O

0 references

found in taxon

Annona muricata

7 references

stated in

Natural acetogenins from annonaceae, synthesis and mechanisms of action

stated in

Cohibins A and B, acetogenins from roots of Annona muricata

stated in

Novel cytotoxic annonaceous acetogenins from Annona muricata

stated in

New cytotoxic monotetrahydrofuran annonaceous acetogenins from Annona muricata

stated in

Five novel mono-tetrahydrofuran ring acetogenins from the seeds of Annona muricata

stated in

Cohibins C and D, two important metabolites in the biogenesis of acetogenins from Annona muricata and Annona nutans

stated in

Annona muricata (Annonaceae): A Review of Its Traditional Uses, Isolated Acetogenins and Biological Activities

Identifiers

InChI

InChI=1S/C35H64O4/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-25-28-33(36)34(37)29-26-23-20-17-14-13-15-18-21-24-27-32-30-31(2)39-35(32)38/h19,22,30-31,33-34,36-37H,3-18,20-21,23-29H2,1-2H3/b22-19-/t31-,33+,34+/m0/s1

0 references

InChIKey

GFUJWCRMULHYHE-HGDVOXMMSA-N

0 references

CAS Registry Number

189508-31-4

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

26 December 2021

matched by identifier from

InChIKey

GFUJWCRMULHYHE-HGDVOXMMSA-N

ChEBI ID

176009

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C35H64O4/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-25-28-33(36)34(37)29-26-23-20-17-14-13-15-18-21-24-27-32-30-31(2)39-35(32)38/h19,22,30-31,33-34,36-37H,3-18,20-21,23-29H2,1-2H3/b22-19-/t31-,33+,34+/m0/s1

1 reference

1 reference

matched by identifier from

InChIKey

GFUJWCRMULHYHE-HGDVOXMMSA-N

(Q105007798)

Cohibin A

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