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
- 896
- Core Entity Id
- 4190
- Source Entity Count
- 1
- Preferred Name
- 2,4-pentadienoic acid
- Name En
- Pubchem Id
- 642034
- Smiles Canonical
- C=CC=CC(=O)O
- Molecular Formula
- C5H6O2
- Molecular Weight
- 98.1010
- Inchikey
- SDVVLIIVFBKBMG-ONEGZZNKSA-N
- Inchi
- InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h2-4H,1H2,(H,6,7)/b4-3+
- Isomeric Smiles
- C=C/C=C/C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.8132
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4100
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2, 4-Pentadienoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,4-pentadienoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,4-pentadienoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2E)-2,4-Pentadienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2E)-2,4-Pentadienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E)-penta-2,4-dienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2E)-penta-2,4-dienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-2,4-Pentadienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-2,4-Pentadienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-penta-2,4-dienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-penta-2,4-dienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3-Butadiene-1-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3-Butadiene-1-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
21651-12-7
Role
alias
Source
HERB_v2
Preferred
No
Name
21651-12-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
626-99-3
Role
alias
Source
HERB_v2
Preferred
No
Name
626-99-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Penta-2,4-dienoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Penta-2,4-dienoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
TRANS-2,4-PENTADIENOIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
TRANS-2,4-PENTADIENOIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2, 4-Pentadienoic acid(2E)-2,4-Pentadienoic acid(2E)-penta-2,4-dienoic acid(E)-2,4-Pentadienoic acid(E)-penta-2,4-dienoic acid1,3-Butadiene-1-carboxylic acid21651-12-7626-99-3Penta-2,4-dienoic acidTRANS-2,4-PENTADIENOIC ACID
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004493
Npass
NPC179544
Tcmid
40883
Pub Chem
642034
Tcmbank
TCMBANKIN035142
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h2-4H,1H2,(H,6,7)/b4-3+
Mol Wt
98.10099999999998
Smiles
C=CC=CC(=O)O
Mol Log P
0.8131999999999999
In Ch Ikey
SDVVLIIVFBKBMG-ONEGZZNKSA-N
Num Hdonors
1
Drug Likeness
0.41
Num Hacceptors
1
Isomeric Smiles
C=C/C=C/C(=O)O
Canonical Smiles
C=CC=CC(=O)O
Herb Alias Names
626-99-3Penta-2,4-dienoic acid21651-12-7(2E)-2,4-Pentadienoic acidTRANS-2,4-PENTADIENOIC ACID(E)-penta-2,4-dienoic acid(2E)-penta-2,4-dienoic acid1,3-Butadiene-1-carboxylic acid(E)-2,4-Pentadienoic acid
Molecular Weight
98.1 g/mol
Molecular Formula
C5H6O2
Molecular Formula
C5H6O2
Num Rotatable Bonds
2