Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 9Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70417
- Core Entity Id
- 133066
- Source Entity Count
- 1
- Preferred Name
- boldine dimethyl ether
- Name En
- Pubchem Id
- 16754
- Smiles Canonical
- CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC
- Molecular Formula
- C21H25NO4
- Molecular Weight
- 355.1800
- Inchikey
- RUZIUYOSRDWYQF-HNNXBMFYSA-N
- Inchi
- InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.4000
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 40.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
boldine dimethyl ether
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
boldine dimethyl ether
Itcmdb Generated
ITX-INGREDIENT-6F7095D8B02E
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
355.180
Molecular Formula
C21H25NO4
Fda Maximum Daily Dose (Fdamdd)
0.948
Quantitative Estimate Of Drug Likeness（Qed）
0.840