Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 3Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69198
- Core Entity Id
- 131847
- Source Entity Count
- 1
- Preferred Name
- 6-Hydroxydopamine hydrobromide
- Name En
- Pubchem Id
- 176170
- Smiles Canonical
- C1=C(C(=CC(=C1O)O)O)CCN.Br
- Molecular Formula
- C8H12BrNO3
- Molecular Weight
- 249.0000
- Inchikey
- MLACDGUOKDOLGC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H11NO3.BrH/c9-2-1-5-3-7(11)8(12)4-6(5)10;/h3-4,10-12H,1-2,9H2;1H
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.8825
- Num H Donors
- 5
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 86.7000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-Hydroxydopamine hydrobromide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
6-Hydroxydopamine hydrobromide
Itcmdb Generated
ITX-INGREDIENT-90E30EB4AD41
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
249.000
Molecular Formula
C8H12BrNO3
Fda Maximum Daily Dose (Fdamdd)
0.149
Quantitative Estimate Of Drug Likeness（Qed）
0.379