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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Triptodihydroxy acid methyl ester

C31H50O4

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
10

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Triptodihydroxy acid methyl ester
Molecular Formula
C31H50O4
Molecular Weight
No data
Canonical SMILES
CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC(CC5)(CO)C(=O)OC)C)C)C)C
Isomeric SMILES
CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC(CC5)(CO)C(=O)OC)C)C)C)C
InChI
InChI=1S/C31H50O4/c1-26(2)22-10-13-30(6)23(28(22,4)12-11-24(26)33)9-8-20-21-18-31(19-32,25(34)35-7)17-15-27(21,3)14-16-29(20,30)5/h8,21-24,32-33H,9-19H2,1-7H3
Oral Bioavailability
15.756
Drug Likeness
0.355
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 target8 Targets
GraphMore Targets
03
CHRNA4
cholinergic receptor nicotinic alpha 4 subunit
cholinergic receptor nicotinic alpha 4 subunit
DetailsGraph
04
HSD11B1
hydroxysteroid 11-beta dehydrogenase 1
hydroxysteroid 11-beta dehydrogenase 1
DetailsGraph
05
HSD11B2
hydroxysteroid 11-beta dehydrogenase 2
hydroxysteroid 11-beta dehydrogenase 2
DetailsGraph
06
HSD3B1
hydroxy-delta-5-steroid dehydrogenase, 3 beta- and steroid delta-isomerase 1
hydroxy-delta-5-steroid dehydrogenase, 3 beta- and steroid delta-isomerase 1
DetailsGraph
07
NR3C1
nuclear receptor subfamily 3 group C member 1
nuclear receptor subfamily 3 group C member 1
DetailsGraph