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
- 63186
- Core Entity Id
- 110204
- Source Entity Count
- 1
- Preferred Name
- Behenic Acid Methyl Ester
- Name En
- Pubchem Id
- 13584
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCC(=O)OC
- Molecular Formula
- C23H46O2
- Molecular Weight
- 354.3500
- Inchikey
- QSQLTHHMFHEFIY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 11.2000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 21
- Drug Likeness
- Polar Surface Area
- 26.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Behenic Acid Methyl Ester
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
behenic acid methyl ester
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT22537
Etcm Ingredient
behenic acid methyl ester
Itcmdb Generated
ITX-INGREDIENT-3098D527FEDBITX-INGREDIENT-F6C6BD755499
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Molecular Weight
354.350
Molecular Formula
C23H46O2
Fda Maximum Daily Dose (Fdamdd)
0.016
Quantitative Estimate Of Drug Likeness（Qed）
0.164