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Ingredients

Cucurbitacin e

C32H44O8

Entity Type
Ingredients
Relation Groups
2
Relation Preview
16

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Cucurbitacin e
Molecular Formula
C32H44O8
Molecular Weight
No data
Canonical SMILES
CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3C=C(C(=O)C4(C)C)O)C)C)C)O)O
Isomeric SMILES
CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O)C)C)C)O)O
InChI
InChI=1S/C32H44O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-14,19,21-22,25,34-35,39H,11,15-16H2,1-9H3/b13-12+/t19-,21-,22+,25+,29+,30-,31+,32+/m1/s1
Oral Bioavailability
No data
Drug Likeness
0.260
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
Related

Direct relations and traceable candidates grouped by relation type.

Active Targets

ingredient target8 Targets
05
GADD45A
growth arrest and DNA damage inducible alpha
growth arrest and DNA damage inducible alpha
06
GADD45B
growth arrest and DNA damage inducible beta
growth arrest and DNA damage inducible beta
07
GADD45G
growth arrest and DNA damage inducible gamma
growth arrest and DNA damage inducible gamma
08
HSD11B1
hydroxysteroid 11-beta dehydrogenase 1
hydroxysteroid 11-beta dehydrogenase 1