(Q75055072)

English

Epothilone C7

bioactive natural product

In more languages

Statements

type of chemical entity

0 references

4,8,15-Trihydroxy-5,5,7,9-tetramethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione

1 reference

based on heuristic

inferred from SMILES

493.249808968 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(4S,7R,8S,9S,15S,16R)-4,8,15-trihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₉NO₆S

0 references

canonical SMILES

O=C1OC(C(=CC=2N=C(SC2)C)C)C(O)C=CCCCC(C)C(O)C(C(=O)C(C)(C)C(O)C1)C

0 references

isomeric SMILES

C/C(=C\c1csc(C)n1)[C@H]1OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)C(C)CCC/C=C\[C@@H]1O

0 references

Sorangium cellulosum

1 reference

New natural epothilones from Sorangium cellulosum, strains So ce90/B2 and So ce90/D13: isolation, structure elucidation, and SAR studies

Identifiers

InChI=1S/C26H39NO6S/c1-15-10-8-7-9-11-20(28)24(16(2)12-19-14-34-18(4)27-19)33-22(30)13-21(29)26(5,6)25(32)17(3)23(15)31/h9,11-12,14-15,17,20-21,23-24,28-29,31H,7-8,10,13H2,1-6H3/b11-9-,16-12+/t15?,17-,20+,21+,23+,24-/m1/s1

0 references

XHORAZNTIGWOJV-STOYAMIYSA-N

0 references

2 references

language of work or name

matched by identifier from

XHORAZNTIGWOJV-STOYAMIYSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C26H39NO6S/c1-15-10-8-7-9-11-20(28)24(16(2)12-19-14-34-18(4)27-19)33-22(30)13-21(29)26(5,6)25(32)17(3)23(15)31/h9,11-12,14-15,17,20-21,23-24,28-29,31H,7-8,10,13H2,1-6H3/b11-9-,16-12+/t15?,17-,20+,21+,23+,24-/m1/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

XHORAZNTIGWOJV-STOYAMIYSA-N

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