Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 269
- Core Entity Id
- 2647
- Source Entity Count
- 1
- Preferred Name
- 22-tricosenoicacid
- Name En
- Pubchem Id
- 543855
- Smiles Canonical
- C=CCCCCCCCCCCCCCCCCCCCCC(=O)O
- Molecular Formula
- C23H44O2
- Molecular Weight
- 352.6030
- Inchikey
- YGTSVJQQDISEHZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C23H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2H,1,3-22H2,(H,24,25)
- Isomeric Smiles
- C=CCCCCCCCCCCCCCCCCCCCCC(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 8.0590
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 21
- Drug Likeness
- 0.1670
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
22-Tricosenoicacid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
22-tricosenoicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
22-tricosenoicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
22-Tricosenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
22-Tricosenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
65119-95-1
Role
alias
Source
HERB_v2
Preferred
No
Name
65119-95-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
C23:1n-1
Role
alias
Source
HERB_v2
Preferred
No
Name
C23:1n-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:73736
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:73736
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50337656
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50337656
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00060118
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00060118
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL994855
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL994855
Role
alias
Source
itcmdb_public
Preferred
No
Name
tricos-22-enoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
tricos-22-enoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
22-Tricosenoic acid65119-95-1C23:1n-1CHEBI:73736DTXSID50337656MFCD00060118SCHEMBL994855tricos-22-enoic acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003786
Tcmid
39675
Pub Chem
543855
Tcmbank
TCMBANKIN036267
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2H,1,3-22H2,(H,24,25)
Mol Wt
352.6030000000001
Smiles
C=CCCCCCCCCCCCCCCCCCCCCC(=O)O
Mol Log P
8.059000000000006
In Ch Ikey
YGTSVJQQDISEHZ-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.167
Num Hacceptors
1
Isomeric Smiles
C=CCCCCCCCCCCCCCCCCCCCCC(=O)O
Canonical Smiles
C=CCCCCCCCCCCCCCCCCCCCCC(=O)O
Herb Alias Names
22-Tricosenoic acid65119-95-1tricos-22-enoic acidC23:1n-1CHEBI:73736DTXSID503376562,2-Tricosenoic acidMFCD00060118SCHEMBL994855
Molecular Weight
352.6 g/mol
Molecular Formula
C23H44O2
Molecular Formula
C23H44O2
Num Rotatable Bonds
21