Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 14Links: 26
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 64570
- Core Entity Id
- 111588
- Source Entity Count
- 1
- Preferred Name
- Prostaglandin E2
- Name En
- Pubchem Id
- 5280360
- Smiles Canonical
- CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O
- Molecular Formula
- C20H32O5
- Molecular Weight
- 352.2200
- Inchikey
- XEYBRNLFEZDVAW-ARSRFYASSA-N
- Inchi
- InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.8000
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 12
- Drug Likeness
- Polar Surface Area
- 94.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Prostaglandin E2
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Prostaglandin E2
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Prostaglandin E2
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT26263
Etcm Ingredient
Prostaglandin E2
Itcmdb Generated
ITX-INGREDIENT-720156189205ITX-INGREDIENT-B4433B104DA6
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0
Molecular Weight
352.220
Molecular Formula
C20H32O5
Fda Maximum Daily Dose (Fdamdd)
0.043
Quantitative Estimate Of Drug Likeness（Qed）
0.370