(Q105301085)

English

iodovulone I

chemical compound

In more languages

Statements

type of chemical entity

0 references

methyl (5E)-7-[(1E)-2-hydroxy-4-iodo-2-(oct-2-en-1-yl)-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate

1 reference

based on heuristic

inferred from SMILES

Methyl 7-(2-hydroxy-4-iodo-2-oct-2-enyl-5-oxocyclopent-3-en-1-ylidene)hept-5-enoate

1 reference

based on heuristic

inferred from SMILES

methyl 7-[(1E)-2-hydroxy-4-iodo-2-(oct-2-en-1-yl)-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate

1 reference

based on heuristic

inferred from SMILES

472.111057408 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (Z,7Z)-7-[(2R)-2-hydroxy-4-iodo-2-[(E)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate

1 reference

based on heuristic

inferred from InChI

methyl (Z)-7-[(2R)-2-hydroxy-4-iodo-2-[(E)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate

1 reference

based on heuristic

inferred from InChI

(5Z)-7-[(1E,2R)-2-Hydroxy-2-[(Z)-2-octenyl]-4-iodo-5-oxo-3-cyclopentene-1-ylidene]-5-heptenoic acid methyl ester

1 reference

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₉IO₄

0 references

canonical SMILES

O=C(OC)CCCC=CC=C1C(=O)C(I)=CC1(O)CC=CCCCCC

0 references

isomeric SMILES

CCCCC/C=C\C[C@@]1(O)C=C(I)C(=O)/C1=C/C=C\CCCC(=O)OC

0 references

Clavularia viridis

5 references

Isolation and structures of new halogenated prostanoids from the Okinawan soft coral Clavularia viridis.

Bromovulone I and iodovulone I, unprecedented brominated and iodinated marine prostanoids with antitumour activity isolated from the Japanese stolonifer Clavularia viridis Quoy and Gaimard

A new marine epoxy prostanoid with an antiproliferative activity from the stolonifer Clavularia viridis Quoy and Gaimard.

Bromovulone I and iodovulone I, unprecedented brominated and iodinated marine prostanoids with antitumour activity isolated from the Japanese stolonifer Clavularia viridis Quoy and Gaimard

Isolation and structures of new halogenated prostanoids from the Okinawan soft coral Clavularia viridis.

Identifiers

InChI=1S/C21H29IO4/c1-3-4-5-6-9-12-15-21(25)16-18(22)20(24)17(21)13-10-7-8-11-14-19(23)26-2/h7,9-10,12-13,16,25H,3-6,8,11,14-15H2,1-2H3/b10-7-,12-9-,17-13-/t21-/m1/s1

0 references

WBVIHDHLOOPYQN-DJKWDOPVSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

WBVIHDHLOOPYQN-DJKWDOPVSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C21H29IO4/c1-3-4-5-6-9-12-15-21(25)16-18(22)20(24)17(21)13-10-7-8-11-14-19(23)26-2/h7,9-10,12-13,16,25H,3-6,8,11,14-15H2,1-2H3/b10-7-,12-9-,17-13-/t21-/m1/s1

UniChem compound ID

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

17 April 2021

WBVIHDHLOOPYQN-DJKWDOPVSA-N

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