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
Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 71452
- Core Entity Id
- 134101
- Source Entity Count
- 1
- Preferred Name
- Deoxyalkannin
- Name En
- Pubchem Id
- 135564821
- Smiles Canonical
- CC(=CCCC1=CC(=C2C(=O)C=CC(=O)C2=C1O)O)C
- Molecular Formula
- C16H16O4
- Molecular Weight
- 272.1000
- Inchikey
- SIKBFOBVCLNPFM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H16O4/c1-9(2)4-3-5-10-8-13(19)14-11(17)6-7-12(18)15(14)16(10)20/h4,6-8,19-20H,3,5H2,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.1000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 74.6000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Deoxyalkannin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Deoxyalkannin
Itcmdb Generated
ITX-INGREDIENT-818755753B0B
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
272.100
Molecular Formula
C16H16O4
Fda Maximum Daily Dose (Fdamdd)
0.929
Quantitative Estimate Of Drug Likeness（Qed）
0.497