Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70416
- Core Entity Id
- 133065
- Source Entity Count
- 1
- Preferred Name
- boldine
- Name En
- Pubchem Id
- 10154
- Smiles Canonical
- CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)O
- Molecular Formula
- C19H21NO4
- Molecular Weight
- 327.1500
- Inchikey
- LZJRNLRASBVRRX-ZDUSSCGKSA-N
- Inchi
- InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.7000
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 62.2000
- Molecular Volume
- Alogp
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
boldine
Itcmdb Generated
ITX-INGREDIENT-ABCC3ACD15DF
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
327.150
Molecular Formula
C19H21NO4
Fda Maximum Daily Dose (Fdamdd)
0.959
Quantitative Estimate Of Drug Likeness（Qed）
0.888