(Q105387041)

English

[(2R)-1-[3,10-dihydroxy-12-[(2R)-2-hydroxypropyl]-2,6,7,11-tetramethoxy-4,9-dioxoperylen-1-yl]propan-2-yl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

654.210111908 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₃₄O₁₁

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canonical SMILES

O=C(OC(C)CC=1C(OC)=C(O)C=2C(=O)C=C(OC)C3=C4C(OC)=CC(=O)C5=C(O)C(OC)=C(C(=C54)C1C23)CC(O)C)C=6C=CC=CC6

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isomeric SMILES

COc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(O)c(OC)c(C[C@@H](C)OC(=O)c6ccccc6)c(c(c1C[C@@H](C)O)c23)c54

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found in taxon

Cladosporium cladosporioides

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stated in

Calphostins (UCN-1028), novel and specific inhibitors of protein kinase C. I. Fermentation, isolation, physico-chemical properties and biological activities

Identifiers

InChI

InChI=1S/C37H34O11/c1-16(38)12-19-25-26-20(13-17(2)48-37(43)18-10-8-7-9-11-18)36(47-6)34(42)28-22(40)15-24(45-4)30(32(26)28)29-23(44-3)14-21(39)27(31(25)29)33(41)35(19)46-5/h7-11,14-17,38,41-42H,12-13H2,1-6H3/t16-,17-/m1/s1

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InChIKey

ZZTKVBAAURVMGM-IAGOWNOFSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

Natural Product Atlas ID

NPA018425

1 reference

based on heuristic

inferred from InChIKey

(Q105387041)

[(2R)-1-[3,10-dihydroxy-12-[(2R)-2-hydroxypropyl]-2,6,7,11-tetramethoxy-4,9-dioxoperylen-1-yl]propan-2-yl] benzoate

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Identifiers

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