Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 7Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1815
- Core Entity Id
- 5205
- Source Entity Count
- 1
- Preferred Name
- 2e,4e-tetradecadienoic acid
- Name En
- Pubchem Id
- 5312404
- Smiles Canonical
- CCCCCCCCCC=CC=CC(=O)O
- Molecular Formula
- C14H24O2
- Molecular Weight
- 224.3440
- Inchikey
- WNLVXSRACLAFOL-AQASXUMVSA-N
- Inchi
- InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h10-13H,2-9H2,1H3,(H,15,16)/b11-10+,13-12+
- Isomeric Smiles
- CCCCCCCCC/C=C/C=C/C(=O)O
- Cas Id
- 29826-00-4
- Ob Score
- 24.9440
- Mol Logp
- 4.3241
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 10
- Drug Likeness
- 0.3410
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2E,4E-Tetradecadienoic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2E,4E-Tetradecadienoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2E,4E-tetradecadienoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2E,4E-tetradecadienoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2e,4e-tetradecadienoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2e,4e-tetradecadienoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2E,4E)-2,4-Tetradecadienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E,4E)-2,4-Tetradecadienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2E,4E)-Tetradecadienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E,4E)-Tetradecadienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2E,4E)-tetradeca-2,4-dienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2E,4E)-tetradeca-2,4-dienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E,4E)-tetradeca-2,4-dienoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(E,E)-Tetradeca-2,4-dienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E,E)-Tetradeca-2,4-dienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4-Tetradecadienoic acid, (2E,4E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4-Tetradecadienoic acid, (2E,4E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
24738-49-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
24738-49-6
Role
alias
Source
HERB_v2
Preferred
No
Name
29826-00-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
29826-00-4
Role
alias
Source
HERB_v2
Preferred
No
Name
C14:2n-10,12
Role
alias
Source
HERB_v2
Preferred
No
Name
C14:2n-10,12
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMFA01030252
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL1561025
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1561025
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2E,4E)-2,4-Tetradecadienoic acid(2E,4E)-Tetradecadienoic acid(2E,4E)-tetradeca-2,4-dienoic acid(E,E)-Tetradeca-2,4-dienoic acid2,4-Tetradecadienoic acid, (2E,4E)-24738-49-629826-00-4C14:2n-10,12LMFA01030252SCHEMBL1561025
Cross References
Trusted external identifiers retained for this final record.
Cas
29826-00-4
Herb
HBIN005563
Tcmsp
MOL005933
Sym Map
SMIT07621
Pub Chem
5312404
Tcmbank
TCMBANKIN003380
Etcm Ingredient
2E,4E-tetradecadienoic acid
Itcmdb Generated
ITX-INGREDIENT-790E7D2A4DA2
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h10-13H,2-9H2,1H3,(H,15,16)/b11-10+,13-12+
Mol Wt
224.344
Cas Id
29826-00-4
Smiles
CCCCCCCCCC=CC=CC(=O)O
Mol Log P
4.324100000000003
Version
v1,v2
In Ch Ikey
WNLVXSRACLAFOL-AQASXUMVSA-N
Ob Score
24.94424.94422424.94422412
Suppress
0
Num Hdonors
1
Drug Likeness
0.341
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCC/C=C/C=C/C(=O)O
Molecule Weight
224.38
Canonical Smiles
CCCCCCCCCC=CC=CC(=O)O
Herb Alias Names
24738-49-6(2E,4E)-2,4-Tetradecadienoic acid(2E,4E)-tetradeca-2,4-dienoic acid29826-00-42,4-Tetradecadienoic acid, (2E,4E)-C14:2n-10,12(2E,?4E)?-2,?4-?Tetradecadienoic acid(2E,4E)-2,4-Tetradecadienoic acid(2E,4E)-Tetradecadienoic acid(E,E)-Tetradeca-2,4-dienoic acidSCHEMBL1561025
Molecular Weight
224.180
Molecular Weight
224.34 g/mol
Molecular Formula
C14H24O2
Molecular Formula
C14H24O2
Molecular Formula
C14H24O2
Num Rotatable Bonds
10
Fda Maximum Daily Dose (Fdamdd)
0.902
Quantitative Estimate Of Drug Likeness（Qed）
0.443