Skip to main content
Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Spiraein

C21H20O12

View Knowledge GraphBack to List
Entity Type
Ingredients
Relation Groups
2
Relation Preview
13

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Spiraein
Molecular Formula
C21H20O12
Molecular Weight
No data
Canonical SMILES
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O
Isomeric SMILES
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1
Oral Bioavailability
3.524
Drug Likeness
0.245
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

Related Entities

Direct relations and traceable candidates grouped by relation type.

Source HerbsActive Targets

Active Targets

ingredient target7 Targets
GraphMore Targets
01
AKR1B1
aldo-keto reductase family 1 member B
aldo-keto reductase family 1 member B
DetailsGraph
02
APEX1
apurinic/apyrimidinic endodeoxyribonuclease 1
apurinic/apyrimidinic endodeoxyribonuclease 1
DetailsGraph
04
DHODH
dihydroorotate dehydrogenase (quinone)
dihydroorotate dehydrogenase (quinone)
DetailsGraph