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Asperentin

  • Formula: C16H20O5

  • Molecular weight: 292.33

  • Smiles: CC1CCCC(O1)CC2CC3=C(C(=CC(=C3)O)O)C(=O)O2

  • Type: Isocoumarin A

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Asperentin

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

  • Mycotoxin name: Asperentin

  • First synonym: Cladosporin

  • Synonyms: Cladosporin,35818-31-6,Asperentin,UNII-81PR0D5FI4,81PR0D5FI4,(3R)-6,8-dihydroxy-3-[[(2R,6S)-6-methyloxan-2-yl]methyl]-3,4-dihydroisochromen-1-one,(R)-6,8-Dihydroxy-3-(((2R,6S)-6-methyltetrahydro-2H-pyran-2-yl)methyl)isochroman-1-one,(3r)-3-[[(2r,6s)-6-Methyloxan-2-Yl]methyl]-6,8-Bis(Oxidanyl)-3,4-Dihydroisochromen-1-One,3,4-Dihydro-6,8-dihydroxy-3-(tetrahydro-6-methyl-2H-pyran-2-yl)methylisocoumarin,(3R)-3,4-DIHYDRO-6,8-DIHYDROXY-3-(((2R,6S)-TETRAHYDRO-6-METHYL-2H-PYRAN-2-YL)METHYL)-1H-2-BENZOPYRAN-1-ONE,1H-2-BENZOPYRAN-1-ONE, 3,4-DIHYDRO-6,8-DIHYDROXY-3-(((2R,6S)-TETRAHYDRO-6-METHYL-2H-PYRAN-2-YL)METHYL)-, (3R)-,1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-((tetrahydro-6-methyl-2H-pyran-2-yl)methyl)-, (2R-(2-alpha(R*),6-beta))-,1H-2-BENZOPYRAN-1-ONE, 3,4-DIHYDRO-6,8-DIHYDROXY-3-((TETRAHYDRO-6-METHYL-2H-PYRAN-2-YL)METHYL)-, (2R-(2.ALPHA.(R*),6.BETA.))-,1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-[(tetrahydro-6-methyl-2H-pyran-2-yl)methyl]-, [2R-[2.alpha.(R*),6.beta.]]-,3,4-dihydro-6,8-dihydroxy-3-(6-methyltetrahydropyran- 2-ylmethyl)isocoumarin,(3R)-6,8-dihydroxy-3-(((2R,6S)-6-methyloxan-2-yl)methyl)-3,4-dihydroisochromen-1-one,(3r)-6,8-dihydroxy-3-(((2s,6s)-6-methyloxan-2-yl)methyl)-3,4-dihydro-2-benzopyran-1-one,(3r)-6,8-dihydroxy-3-{[(2s,6s)-6-methyloxan-2-yl]methyl}-3,4-dihydro-2-benzopyran-1-one,(3R)-3-(((2R,6S)-6-methyloxan-2-yl)methyl)-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one,[2R-[2alpha(R*),6beta]]-3,4-dihydro-6,8-dihydroxy-3-[(tetrahydro-6-methyl-2H-pyran-2-yl)methyl]-1H-2-Benzopyran-1-one (3R)-3,4-Dihydro-6,8-dihydroxy-3-[[(2R,6S)-tetrahydro-6-methyl-2H-pyran-2-yl]methyl]-1H-2-benzopyran-1-one Asperentin,KRS,4pg3,CHEMBL448685,GTPL10247,1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-((tetrahydro-6-methyl-2H-pyran-2-yl)methyl)-,1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-[(tetrahydro-6-methyl-2H-pyran-2-yl)methyl]-,1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-[(tetrahydro-6-methyl-2H-pyran-2-yl)methyl]-, [2R-[2.alpha.(R),6.beta.]]-,BDBM50434379,DA-61269,HY-136767,CS-0133554,Q27269262,(3R)-6,8-dihydroxy-3-{[(2R,6S)-6-methyltetrahydro-2H-pyran-2-yl]methyl}-3,4-dihydro-1H-isochromen-1-one,1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-((tetrahydro-6-methyl-2H-pyran-2-yl)methyl)-, (2R-(2alpha(R),6beta))-,1H-2-BENZOPYRAN-1-ONE, 3,4-DIHYDRO-6,8-DIHYDROXY-3-((TETRAHYDRO-6-METHYL-2H-PYRAN-2-YL)METHYL)-, (2R-(2ALPHA(R*),6BETA))-

Identifiers / External links

Structure

  • Smiles: CC1CCCC(O1)CC2CC3=C(C(=CC(=C3)O)O)C(=O)O2

  • Isomeric smiles: C[C@H]1CCC[C@@H](O1)C[C@H]2CC3=C(C(=CC(=C3)O)O)C(=O)O2

  • Inchi: InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13+/m0/s1

  • Inchikey: WOMKDMUZNBFXKG-ZWKOPEQDSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C16H20O5

  • Molecular weight: 292.33

  • Monoisotopic mass: 292.13107373

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