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: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66610
- Core Entity Id
- 129259
- Source Entity Count
- 1
- Preferred Name
- 1-Deoxynojirimycin hydrochloride
- Name En
- Pubchem Id
- 13018787
- Smiles Canonical
- C1C(C(C(C(N1)CO)O)O)O.Cl
- Molecular Formula
- C6H14ClNO4
- Molecular Weight
- 199.0600
- Inchikey
- ZJIHMALTJRDNQI-VFQQELCFSA-N
- Inchi
- InChI=1S/C6H13NO4.ClH/c8-2-3-5(10)6(11)4(9)1-7-3;/h3-11H,1-2H2;1H/t3-,4+,5-,6-;/m1./s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -2.5450
- Num H Donors
- 6
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 93.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-Deoxynojirimycin hydrochloride
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1-Deoxynojirimycin hydrochloride
Itcmdb Generated
ITX-INGREDIENT-F81E3B709B63
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
199.060
Molecular Formula
C6H14ClNO4
Fda Maximum Daily Dose (Fdamdd)
0.042
Quantitative Estimate Of Drug Likeness（Qed）
0.285