Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 8Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69170
- Core Entity Id
- 131819
- Source Entity Count
- 1
- Preferred Name
- 6-Deoxyfagomine
- Name En
- Pubchem Id
- 57449463
- Smiles Canonical
- CC1C(C(CCN1)O)O
- Molecular Formula
- C6H13NO2
- Molecular Weight
- 131.0900
- Inchikey
- RMJCALHKIHCSMY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H13NO2/c1-4-6(9)5(8)2-3-7-4/h4-9H,2-3H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.9000
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 52.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-Deoxyfagomine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
6-Deoxyfagomine
Itcmdb Generated
ITX-INGREDIENT-29D8A34EA343
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
131.090
Molecular Formula
C6H13NO2
Fda Maximum Daily Dose (Fdamdd)
0.106
Quantitative Estimate Of Drug Likeness（Qed）
0.399