Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 11Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66397
- Core Entity Id
- 129046
- Source Entity Count
- 1
- Preferred Name
- 12-phenyldodecanoic acid
- Name En
- Pubchem Id
- 151922
- Smiles Canonical
- C1=CC=C(C=C1)CCCCCCCCCCCC(=O)O
- Molecular Formula
- C18H28O2
- Molecular Weight
- 276.2100
- Inchikey
- IXEHFJJSVBVZHI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H28O2/c19-18(20)16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17/h8,10-11,14-15H,1-7,9,12-13,16H2,(H,19,20)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 6.3000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 12
- Drug Likeness
- Polar Surface Area
- 37.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
12-phenyldodecanoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
12-phenyldodecanoic acid
Itcmdb Generated
ITX-INGREDIENT-A59FDD800791
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
276.210
Molecular Formula
C18H28O2
Fda Maximum Daily Dose (Fdamdd)
0.024
Quantitative Estimate Of Drug Likeness（Qed）
0.532