(Q104970638)

English

Cimiside E

chemical compound

In more languages

Statements

type of chemical entity

0 references

(2S,3R,4S,5R)-2-{[(9S,12R,14S,17R)-2-hydroxy-3,8,8,17,19-pentamethyl-22-(prop-1-en-2-yl)-23,24-dioxaheptacyclo[19.2.1.0¹,¹⁸.0³,¹⁷.0⁴,¹⁴.0⁷,¹².0¹²,¹⁴]tetracosan-9-yl]oxy}oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

2-[(2-Hydroxy-3,8,8,17,19-pentamethyl-22-prop-1-en-2-yl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl)oxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

(2R,3S,4R,5S)-2-[[(1R,2R,3S,4R,7R,9S,12S,14R,17R,18R,19R,22R)-2-hydroxy-3,8,8,17,19-pentamethyl-22-prop-1-en-2-yl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

602.381868688 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3S,4R,5S)-2-[[(1R,2R,3S,4R,7R,9S,12S,14R,17R,18R,19R,21R,22R)-2-hydroxy-3,8,8,17,19-pentamethyl-22-prop-1-en-2-yl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

25-anhydrocimigenol 3-O-β-D-xyloside

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,3R,4S,5S)-2-[[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22R)-2-hydroxy-3,8,8,17,19-pentamethyl-22-prop-1-en-2-yl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

25-anhydrocimigenol 3-O-α-L-arabinoside

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₅₄O₈

0 references

canonical SMILES

OC1COC(OC2CCC34CC54CCC6(C)C7C(C)CC8OC7(OC8C(=C)C)C(O)C6(C)C5CCC3C2(C)C)C(O)C1O

0 references

isomeric SMILES

C=C(C)[C@@H]1O[C@@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O

0 references

Actaea asiatica

1 reference

Cytotoxic cycloartane triterpene saponins from Actaea asiatica

Actaea cimicifuga

1 reference

Constituents of cimicifugae rhizoma II. Isolation and structures of new cycloartenol triterpenoids and related compounds from Cimicifuga foetida L

Actaea heracleifolia

1 reference

Cimiside E arrests cell cycle and induces cell apoptosis in gastric cancer cells

Identifiers

InChI=1S/C35H54O8/c1-17(2)26-20-14-18(3)27-31(6)12-13-34-16-33(34)11-10-23(41-28-25(38)24(37)19(36)15-40-28)30(4,5)21(33)8-9-22(34)32(31,7)29(39)35(27,42-20)43-26/h18-29,36-39H,1,8-16H2,2-7H3/t18-,19-,20-,21+,22+,23+,24+,25-,26+,27-,28+,29-,31-,32-,33-,34+,35+/m1/s1

0 references

CVBALRXHSITZGC-VLHBPTQJSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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