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: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 71514
- Core Entity Id
- 134163
- Source Entity Count
- 1
- Preferred Name
- Dicyclohexyl methyl phosphate
- Name En
- Pubchem Id
- 66729674
- Smiles Canonical
- COP(=O)(OC1CCCCC1)OC2CCCCC2
- Molecular Formula
- C13H25O4P
- Molecular Weight
- 276.1500
- Inchikey
- OSMBYOJRVMZHFJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H25O4P/c1-15-18(14,16-12-8-4-2-5-9-12)17-13-10-6-3-7-11-13/h12-13H,2-11H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.1000
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 44.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dicyclohexyl methyl phosphate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Dicyclohexyl methyl phosphate
Itcmdb Generated
ITX-INGREDIENT-9961224F5512
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
276.150
Molecular Formula
C13H25O4P
Fda Maximum Daily Dose (Fdamdd)
0.079
Quantitative Estimate Of Drug Likeness（Qed）
0.696