Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 64569
- Core Entity Id
- 111587
- Source Entity Count
- 1
- Preferred Name
- Prostaglandin A2
- Name En
- Pubchem Id
- 5280880
- Smiles Canonical
- CCCCCC(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O
- Molecular Formula
- C20H30O4
- Molecular Weight
- 334.4000
- Inchikey
- MYHXHCUNDDAEOZ-FOSBLDSVSA-N
- Inchi
- InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.6000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 12
- Drug Likeness
- Polar Surface Area
- 74.6000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Prostaglandin A2
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Prostaglandin A2
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT26261
Itcmdb Generated
ITX-INGREDIENT-3440BB14D98D
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0