Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17937
- Core Entity Id
- 23112
- Source Entity Count
- 1
- Preferred Name
- Eicosandioic acid
- Name En
- Pubchem Id
- 75502
- Smiles Canonical
- C(CCCCCCCCCC(=O)O)CCCCCCCCC(=O)O
- Molecular Formula
- C20H38O4
- Molecular Weight
- 342.5200
- Inchikey
- JJOJFIHJIRWASH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H38O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1-18H2,(H,21,22)(H,23,24)
- Isomeric Smiles
- C(CCCCCCCCCC(=O)O)CCCCCCCCC(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 6.1774
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 19
- Drug Likeness
- 0.2750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Eicosandioic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Eicosandioic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Eicosandioic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Eicosandioic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
eicosandioic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,18-octadecanedicarboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
1,18-octadecanedicarboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,20-eicosanedioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
1,20-eicosanedioic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2424-92-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
2424-92-2
Role
alias
Source
HERB_v2
Preferred
No
Name
Eicosan-1,20-dioic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Eicosan-1,20-dioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Eicosanedioic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Eicosanedioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Icosanedioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Icosanedioic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Octadecane-1,18-dicarboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Octadecane-1,18-dicarboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
SOD235TGNZ
Role
alias
Source
HERB_v2
Preferred
No
Name
SOD235TGNZ
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-SOD235TGNZ
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-SOD235TGNZ
Role
alias
Source
itcmdb_public
Preferred
No
Name
eicosandioicacid
Role
alias
Source
TCMBank
Preferred
No
Name
octadecamethylenedicarboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
octadecamethylenedicarboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
林背子;漆子;杞子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LIN BEI ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
FieId Lacquertree ;True Lacquer Seed
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,18-octadecanedicarboxylic acid1,20-eicosanedioic acid2424-92-2Eicosan-1,20-dioic acidEicosanedioic acidIcosanedioic acidOctadecane-1,18-dicarboxylic acidSOD235TGNZUNII-SOD235TGNZeicosandioicacidoctadecamethylenedicarboxylic acid林背子;漆子;杞子LIN BEI ZIFieId Lacquertree ;True Lacquer Seed
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024935
Tcmid
309376718
Sym Map
SMIT23717
Pub Chem
75502
Tcmbank
TCMBANKIN034978TCMBANKIN055837
Etcm Ingredient
Eicosandioic acid
Itcmdb Generated
ITX-INGREDIENT-89056475577EITX-INGREDIENT-BA4F7E2AC225ITX-INGREDIENT-0F23DADB5A57
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H38O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1-18H2,(H,21,22)(H,23,24)
Mol Wt
342.5200000000001
Smiles
C(CCCCCCCCCC(=O)O)CCCCCCCCC(=O)O
Mol Log P
6.177400000000006
Version
v2
In Ch Ikey
JJOJFIHJIRWASH-UHFFFAOYSA-N
Suppress
0
Tcm Name
林背子;漆子;杞子
Tcm Name2
LIN BEI ZI
Mol2 Path
/TCM_database/2003_3d_all/2670.mol2
Reference
6
Num Hdonors
2
Tcm Name En
FieId Lacquertree ;True Lacquer Seed
Drug Likeness
0.275
Num Hacceptors
2
Isomeric Smiles
C(CCCCCCCCCC(=O)O)CCCCCCCCC(=O)O
Canonical Smiles
C(CCCCCCCCCC(=O)O)CCCCCCCCC(=O)O
Herb Alias Names
Eicosanedioic acidIcosanedioic acid2424-92-21,20-eicosanedioic acid1,18-octadecanedicarboxylic acidUNII-SOD235TGNZSOD235TGNZEicosan-1,20-dioic acidoctadecamethylenedicarboxylic acidOctadecane-1,18-dicarboxylic acid
Molecular Weight
342.280
Molecular Formula
C20H38O4
Molecular Formula
C20H38O4
Molecular Formula
C20H38O4
Num Rotatable Bonds
19
Fda Maximum Daily Dose (Fdamdd)
0.017
Quantitative Estimate Of Drug Likeness（Qed）
0.275