Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68317
- Core Entity Id
- 130966
- Source Entity Count
- 1
- Preferred Name
- 3-tridecylphenol
- Name En
- Pubchem Id
- 155892
- Smiles Canonical
- CCCCCCCCCCCCCC1=CC(=CC=C1)O
- Molecular Formula
- C19H32O
- Molecular Weight
- 276.2500
- Inchikey
- IFGRPNIAGKTMCH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H32O/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-15-13-16-19(20)17-18/h13,15-17,20H,2-12,14H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 8.4000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 12
- Drug Likeness
- Polar Surface Area
- 20.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-tridecylphenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3-tridecylphenol
Itcmdb Generated
ITX-INGREDIENT-0CE728E1655C
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
276.250
Molecular Formula
C19H32O
Fda Maximum Daily Dose (Fdamdd)
0.088
Quantitative Estimate Of Drug Likeness（Qed）
0.448