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Substance Name: Isochromophilone II
RN: 154170-71-5
InChIKey: QEPMTPAOVMUVBT-VOQBEJNXSA-N

Note

  • From Penicillium sp.; an inhibitor against gp120-CD4 binding.

Molecular Formula

  • C22-H27-Cl-O4

Molecular Weight

  • 390.904
 
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Names and Synonyms

Name of Substance

  • Isochromophilone II

Synonyms

  • (7R-(3(1E,3E,5S*),7alpha,8alpha))-5-Chloro-3-(3,5-dimethyl-1,3-heptadienyl)-7,8-dihydro-7-hydroxy-7-methyl-8-(2-oxopropyl)-6H-2-benzopyran-6-one
  • 5-Chloro-3-(3,5-dimethyl-1,3-heptadienyl)-7,8-dihydro-7-hydroxy-7-methyl-8-(2-oxopropyl)-6H-2-benzopyran-6-one (7R-(3(1E,3E,5S*),7alpha,8alpha))-
  • Isochromophilone iia

Systematic Names

  • 6H-2-Benzopyran-6-one, 5-chloro-3-((1E,3E,5S)-3,5-dimethyl-1,3-heptadienyl)-7,8-dihydro-7-hydroxy-7-methyl-8-(2-oxopropyl)-, (7R,8R)-
  • 6H-2-Benzopyran-6-one, 5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-7,8-dihydro-7-hydroxy-7-methyl-8-(2-oxopropyl)-, (7R-(3(1E,3E,5S*),7alpha,8alpha))-

Registry Numbers

CAS Registry Number

  • 154170-71-5

System Generated Number

  • 0154170715

Structure Descriptors

InChI

1S/C22H27ClO4/c1-6-13(2)9-14(3)7-8-16-11-17-18(12-27-16)19(10-15(4)24)22(5,26)21(25)20(17)23/h7-9,11-13,19,26H,6,10H2,1-5H3/b8-7+,14-9+/t13-,19+,22+/m0/s1

InChIKey

QEPMTPAOVMUVBT-VOQBEJNXSA-N

Smiles

C=12C([C@@H](CC(=O)C)[C@](C(C1Cl)=O)(O)C)=COC(=C2)\C=C\C(=C\[C@H](CC)C)C