Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70603
- Core Entity Id
- 133252
- Source Entity Count
- 1
- Preferred Name
- Calystegine B5
- Name En
- Pubchem Id
- 102427348
- Smiles Canonical
- C1C2C(CC(C(C1O)(N2)O)O)O
- Molecular Formula
- C7H13NO4
- Molecular Weight
- 175.0800
- Inchikey
- DJTRTWALNSXKOG-VOQCIKJUSA-N
- Inchi
- InChI=1S/C7H13NO4/c9-4-2-6(11)7(12)5(10)1-3(4)8-7/h3-6,8-12H,1-2H2/t3-,4+,5+,6-,7-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -2.4000
- Num H Donors
- 5
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 93.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Calystegine B5
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Calystegine B5
Itcmdb Generated
ITX-INGREDIENT-5E08A25C92CD
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
175.080
Molecular Formula
C7H13NO4
Fda Maximum Daily Dose (Fdamdd)
0.988
Quantitative Estimate Of Drug Likeness（Qed）
0.281