(Q77506565)

English

asperjinone

bioactive natural product

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

380.12598836 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₀O₆

0 references

canonical SMILES

O=C1OC(=O)C(=C1C=2C=CC(O)=CC2)CC3=CC=C(O)C(=C3)CC4OC4(C)C

reason for deprecated rank

structural reassignment

1 reference

Asperjinone, a nor-neolignan, and terrein, a suppressor of ABCG2-expressing breast cancer cells, from thermophilic Aspergillus terreus

Structure revision of asperjinone using computer-assisted structure elucidation methods

CC1(C)C(O)CC2=CC(CC3=C(C4=CC=C(O)C=C4)C(OC3=O)=O)=CC=C2O1

reason for preferred rank

structural reassignment

1 reference

Structure revision of asperjinone using computer-assisted structure elucidation methods

Aspergillus terreus

1 reference

Asperjinone, a nor-neolignan, and terrein, a suppressor of ABCG2-expressing breast cancer cells, from thermophilic Aspergillus terreus

Identifiers

InChI=1S/C22H20O6/c1-22(2)18(24)11-14-9-12(3-8-17(14)28-22)10-16-19(21(26)27-20(16)25)13-4-6-15(23)7-5-13/h3-9,18,23-24H,10-11H2,1-2H3

reason for preferred rank

structural reassignment

1 reference

Structure revision of asperjinone using computer-assisted structure elucidation methods

CKIQGFVEMXGQMC-UHFFFAOYSA-N

2 references

language of work or name

Natural Product Atlas

language of work or name

NESQQMMROWJYSV-UHFFFAOYSA-N

reason for preferred rank

structural reassignment

1 reference

Structure revision of asperjinone using computer-assisted structure elucidation methods

reason for preferred rank

structural reassignment

0 references

UniChem compound ID

1 reference

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