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Ingredients

Specioside

C24H28O12

Entity Type
Ingredients
Relation Groups
2
Relation Preview
4

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Specioside
Molecular Formula
C24H28O12
Molecular Weight
No data
Canonical SMILES
C1=COC(C2C1C(C3C2(O3)CO)OC(=O)C=CC4=CC=C(C=C4)O)OC5C(C(C(C(O5)CO)O)O)O
Isomeric SMILES
C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)OC(=O)/C=C/C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI
InChI=1S/C24H28O12/c25-9-14-17(29)18(30)19(31)23(33-14)35-22-16-13(7-8-32-22)20(21-24(16,10-26)36-21)34-15(28)6-3-11-1-4-12(27)5-2-11/h1-8,13-14,16-23,25-27,29-31H,9-10H2/b6-3+/t13-,14-,16-,17-,18+,19-,20+,21+,22+,23+,24-/m1/s1
Oral Bioavailability
9.684
Drug Likeness
0.141
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 target3 Targets
01
HSP90AA1
heat shock protein 90 alpha family class A member 1
heat shock protein 90 alpha family class A member 1
02
PIM1
Pim-1 proto-oncogene, serine/threonine kinase
Pim-1 proto-oncogene, serine/threonine kinase
03
PTGS2
prostaglandin-endoperoxide synthase 2
prostaglandin-endoperoxide synthase 2