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Isovelleral

  • Formula: C15H20O2

  • Molecular weight: 232.32

  • Smiles: CC1(CC2C=C(C3(CC3(C2C1)C)C=O)C=O)C

  • Type: Sesquiterpene (Cyclopropindene)

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Isovelleral

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Isovelleral

  • First synonym: None

  • Synonyms: Isovelleral,37841-91-1,Iso-Velleral,(+)-Isovelleral,marasmane,CCRIS 1699,(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde,NSC 299922,UNII-475W04BXJ7,BRN 2506661,475W04BXJ7,MLS000517255,CHEBI:6070,CHEMBL518292,NSC-299922,SMR000127505,Cycloprop(e)indene-1a,2(1H)-dicarboxaldehyde, 3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1aS-(1a-alpha,3a-beta,6a-beta,6b-alpha))-,(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6, 6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarbaldehyde,CYCLOPROP(E)INDENE-1A,2(1H)-DICARBOXALDEHYDE, 3A,4,5,6,6A,6B-HEXAHYDRO-5,5,6B-TRIMETHYL-, (1AS-(1A-.ALPHA.,3A-.BETA.,6A-.BETA.,6B-.ALPHA.))-,Cycloprop[e]indene-1a,2(1H)-dicarboxaldehyde, 3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1aS,3aS,6aS,6bR)-,NSC299922,TRPV1 antagonist,Isovelleral, solid,(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6, 6a-tetrahydro-1H-cyclopropa(e)indene-1a,2-dicarbaldehyde,(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa(e)indene-1a,2-dicarbaldehyde,cid_37839,GTPL6287,SCHEMBL15159483,BDBM61009,DTXSID201032002,5,5,6b-Trimethyl-3a,4,5,6,6a,6b-hexahydrocyclopropa[e]indene-1a,2(1H)-dicarbaldehyde-, (1aS-(1a-.alpha.,3a-.beta.,6a-.beta.,6b-.alpha.))-,Cycloprop(e)indene-1a,2(1H)-dicarboxaldehyde, 3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-,(1aS-(1a-.alpha.,3a-.beta.,6a-.beta.,6b-.alpha.))-,Cycloprop[e]indene-1a,2(1H)-dicarboxaldehyde, 3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1a.alpha.,3a.beta.,6a.beta.,6b.alpha.)-(+)-,MFCD01735881,NCGC00247038-01,NS00124371,C09692,M01901,Q27894435,(1AS,3AS,6AS,6BR)-5,5,6B-TRIMETHYL-1H,1AH,3AH,4H,5H,6H,6AH,6BH-CYCLOPROPA[E]INDENE-1A,2-DICARBALDEHYDE,(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,5,6,6a,6b-hexahydrocyclopropa(e)indene-1a,2(1H)-dicarbaldehyde,(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cycloprop[e]indene-1a,2-dicarbaldehyde,(1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-1a,2-dicarboxaldehyde,5,5,6b-Trimethyl-3a,4,5,6,6a,6b-hexahydrocyclopropa(e)indene-1a,2(1H)-dicarbaldehyde-, (1aS-(1a-alpha,3a-beta,6a-beta,6b-alpha))-,Cycloprop(e)indene-1a,2(1H)-dicarboxaldehyde, 3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1aalpha,3abeta,6abeta,6balpha)-(+)-,Cycloprop(e)indene-1a,2(1H)-dicarboxaldehyde, 3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-,(1aS-(1a-alpha,3a-beta,6a-beta,6b-alpha))-

Identifiers / External links

Structure

  • Smiles: CC1(CC2C=C(C3(CC3(C2C1)C)C=O)C=O)C

  • Isomeric smiles: C[C@]12C[C@]1(C(=C[C@H]3[C@@H]2CC(C3)(C)C)C=O)C=O

  • Inchi: InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1

  • Inchikey: PJAAESPGJOSQGZ-DZGBDDFRSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H20O2

  • Molecular weight: 232.32

  • Monoisotopic mass: 232.146329876

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Fungi

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