Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 54025
- Core Entity Id
- 97036
- Source Entity Count
- 1
- Preferred Name
- Triolein
- Name En
- Pubchem Id
- 5364673
- Smiles Canonical
- CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC
- Molecular Formula
- C57H104O6
- Molecular Weight
- 884.7800
- Inchikey
- PHYFQTYBJUILEZ-WUOFIQDXSA-N
- 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+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 22.4000
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 53
- Drug Likeness
- Polar Surface Area
- 78.9000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Triolein
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Triolein
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Triolein
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
桐油; 白鹅膏
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TONG YOU; BAI E GAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Tung Oil; Goose Fat
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
桐油; 白鹅膏TONG YOU; BAI E GAOTung Oil; Goose Fat
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN051698
Etcm Ingredient
Triolein
Itcmdb Generated
ITX-INGREDIENT-48CCC6D45BF8ITX-INGREDIENT-52079852165E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
C([H])([H])(C([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])\C([H])=C([H])\C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])
([H])C([H])([H])[H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])\C([H])=C([H])\C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H]
)([H])[H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])\C([H])=C([H])\C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
Version
v1,v2
Suppress
0
Tcm Name
桐油; 白鹅膏
Tcm Name2
TONG YOU; BAI E GAO
Mol2 Path
/TCM_database/2003_3d_all/8626.mol2
Reference
6
Tcm Name En
Tung Oil; Goose Fat
Molecular Weight
884.780
Molecular Formula
C57H104O6
Molecular Formula
C57H104O6
Fda Maximum Daily Dose (Fdamdd)
0.043
Quantitative Estimate Of Drug Likeness（Qed）
0.026