(Q105260867)

English

Oxepahyperforin

chemical compound

In more languages

Statements

type of chemical entity

0 references

6-(2-Hydroxypropan-2-yl)-9-methyl-1,3,13-tris(3-methylbut-2-enyl)-10-(2-methylpropanoyl)-5-oxatricyclo[7.2.2.04,10]tridec-3-ene-2,11-dione

1 reference

based on heuristic

inferred from SMILES

552.381474764 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₂O₅

0 references

canonical SMILES

O=C1C(=C2OC(CCC3(C)C(CC=C(C)C)CC1(C(=O)C23C(=O)C(C)C)CC=C(C)C)C(O)(C)C)CC=C(C)C

0 references

isomeric SMILES

CC(C)=CCC1=C2O[C@H](C(C)(C)O)CC[C@]3(C)[C@@H](CC=C(C)C)C[C@](CC=C(C)C)(C1=O)C(=O)[C@]23C(=O)C(C)C

0 references

Hypericum perforatum

2 references

Hyperforin Analogues from St. John's Wort (Hypericum perforatum)

Hyperforin Analogues from St. John's Wort (Hypericum perforatum)

Hypericum henryi

1 reference

Polycyclic Polyprenylated Acylphloroglucinol Congeners Possessing Diverse Structures from Hypericum henryi

Identifiers

InChI=1S/C35H52O5/c1-21(2)12-14-25-20-34(19-16-23(5)6)29(37)26(15-13-22(3)4)30-35(31(34)38,28(36)24(7)8)33(25,11)18-17-27(40-30)32(9,10)39/h12-13,16,24-25,27,39H,14-15,17-20H2,1-11H3/t25-,27-,33+,34+,35-/m0/s1

0 references

SUFKQAGGNFAGTD-UXLXDXPVSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C35H52O5/c1-21(2)12-14-25-20-34(19-16-23(5)6)29(37)26(15-13-22(3)4)30-35(31(34)38,28(36)24(7)8)33(25,11)18-17-27(40-30)32(9,10)39/h12-13,16,24-25,27,39H,14-15,17-20H2,1-11H3/t25-,27-,33+,34+,35-/m0/s1

UniChem compound ID

1 reference

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