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

Olein

C57H104O6

View Knowledge GraphBack to List
Entity Type
Ingredients
Relation Groups
2
Relation Preview
12

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Olein
Molecular Formula
C57H104O6
Molecular Weight
No data
Canonical SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC
Isomeric SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-
Oral Bioavailability
27.271
Drug Likeness
0.026
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

Source Herbs

herb ingredient8 Herbs
GraphMore Herbs
03
人中白
Ren Zhong Bai / Praecipitatum Urinarium Hominis
Ren Zhong BaiPraecipitatum Urinarium Hominis
DetailsGraph
05
大枣
Da Zao / Fructus Jujubae; Jujubae Fructus
Da ZaoFructus Jujubae; Jujubae Fructus
DetailsGraph
06
桃仁
Tao Ren / Semen Persicae; Persicae Semen
Tao RenSemen Persicae; Persicae Semen
DetailsGraph