Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 6Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70104
- Core Entity Id
- 132753
- Source Entity Count
- 1
- Preferred Name
- Apomorphine hydrochloride
- Name En
- Pubchem Id
- 107882
- Smiles Canonical
- CN1CCC2=C3C1CC4=C(C3=CC=C2)C(=C(C=C4)O)O.CN1CCC2=C3C1CC4=C(C3=CC=C2)C(=C(C=C4)O)O.O.Cl.Cl
- Molecular Formula
- C34H38Cl2N2O5
- Molecular Weight
- 624.2200
- Inchikey
- CXWQXGNFZLHLHQ-DPFCLETOSA-N
- Inchi
- InChI=1S/2C17H17NO2.2ClH.H2O/c2*1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12;;;/h2*2-6,13,19-20H,7-9H2,1H3;2*1H;1H2/t2*13-;;;/m11.../s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 5.7187
- Num H Donors
- 7
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 88.4000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Apomorphine hydrochloride
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Apomorphine hydrochloride
Itcmdb Generated
ITX-INGREDIENT-B933024F0ABB
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
624.220
Molecular Formula
C34H38Cl2N2O5
Fda Maximum Daily Dose (Fdamdd)
0.896
Quantitative Estimate Of Drug Likeness（Qed）
0.721