Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19140
- Core Entity Id
- 24453
- Source Entity Count
- 1
- Preferred Name
- Felogenic acid
- Name En
- Pubchem Id
- 244872
- Smiles Canonical
- C(CCCCCCCCCCC(=O)O)CCCCCCCCCC(=O)O
- Molecular Formula
- C22H42O4
- Molecular Weight
- 370.5740
- Inchikey
- DGXRZJSPDXZJFG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H42O4/c23-21(24)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(25)26/h1-20H2,(H,23,24)(H,25,26)
- Isomeric Smiles
- C(CCCCCCCCCCC(=O)O)CCCCCCCCCC(=O)O
- Cas Id
- 505-56-6
- Ob Score
- 16.2010
- Mol Logp
- 6.9576
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 21
- Drug Likeness
- 0.2140
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Felogenic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Felogenic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Felogenic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,20-Eicosanedicarboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,20-Eicosanedicarboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
1,22-Docosanedioic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,22-Docosanedioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
505-56-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
505-56-6
Role
alias
Source
HERB_v2
Preferred
No
Name
Docosan-1,22-dioic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Docosan-1,22-dioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Docosanedioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Docosanedioic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
FR7J081T20
Role
alias
Source
HERB_v2
Preferred
No
Name
FR7J081T20
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-56159
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-56159
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phellogenic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Phellogenic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-FR7J081T20
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-FR7J081T20
Role
alias
Source
itcmdb_public
Preferred
No
Name
Docosandioic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
林背子;漆子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LIN BEI ZI;QI ZI;QI ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
FieId Lacquertree ;True Lacquer Seed
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
306673_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
43950_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-002598
Role
alias
Source
TCMBank
Preferred
No
Name
LMFA01170037
Role
alias
Source
TCMBank
Preferred
No
Name
NSC56159
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,20-Eicosanedicarboxylic acid1,22-Docosanedioic acid505-56-6Docosan-1,22-dioic acidDocosanedioic acidFR7J081T20NSC-56159Phellogenic acidUNII-FR7J081T20Docosandioic acid林背子;漆子LIN BEI ZI;QI ZI;QI ZIFieId Lacquertree ;True Lacquer Seed306673_ALDRICH43950_FLUKAAIDS-002598LMFA01170037NSC56159
Cross References
Trusted external identifiers retained for this final record.
Cas
505-56-6
Herb
HBIN026421HBIN024353HBIN024355
Npass
NPC281694
Tcmid
309226534
Tcmsp
MOL009152
Sym Map
SMIT10321
Pub Chem
244872
Tcmbank
TCMBANKIN055809TCMBANKIN057972
Etcm Ingredient
Docosandioic acid
Itcmdb Generated
ITX-INGREDIENT-1C6F35ABA0BDITX-INGREDIENT-D6FFC8767DBB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C22H42O4/c23-21(24)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(25)26/h1-20H2,(H,23,24)(H,25,26)
Mol Wt
370.5740000000002
Cas Id
505-56-6
Smiles
C(CCCCCCCCCCC(=O)O)CCCCCCCCCC(=O)OC([H])([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])C([H])([H])C(O[H])=O)C([H])([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])C([H])([H])C(O[H])=O
Mol Log P
6.957600000000006
Version
v1,v2
In Ch Ikey
DGXRZJSPDXZJFG-UHFFFAOYSA-N
Ob Score
16.20116.20130508
Suppress
0
Tcm Name
林背子;漆子
Tcm Name2
LIN BEI ZI;QI ZI;QI ZI
Mol2 Path
/TCM_database/2003_3d_all/2596.mol2
Reference
6
Num Hdonors
2
Tcm Name En
FieId Lacquertree ;True Lacquer Seed
Drug Likeness
0.214
Num Hacceptors
2
Isomeric Smiles
C(CCCCCCCCCCC(=O)O)CCCCCCCCCC(=O)O
Molecule Weight
370.64
Canonical Smiles
C(CCCCCCCCCCC(=O)O)CCCCCCCCCC(=O)O
Herb Alias Names
Docosanedioic acid505-56-6Phellogenic acid1,22-Docosanedioic acid1,20-Eicosanedicarboxylic acidDocosan-1,22-dioic acidFR7J081T20NSC-56159UNII-FR7J081T20
Molecular Weight
370.310
Molecular Weight
370.6 g/mol
Molecular Formula
C22H42O4
Molecular Formula
C22H42O4
Molecular Formula
C22H42O4
Num Rotatable Bonds
21
Fda Maximum Daily Dose (Fdamdd)
0.017
Quantitative Estimate Of Drug Likeness（Qed）
0.214