Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 17Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65795
- Core Entity Id
- 128444
- Source Entity Count
- 1
- Preferred Name
- (S)-N-methylbulbocapnine
- Name En
- Pubchem Id
- 201298
- Smiles Canonical
- C[N+]1(CCC2=CC3=C(C4=C2C1CC5=C4C(=C(C=C5)OC)O)OCO3)C
- Molecular Formula
- C20H22NO4+
- Molecular Weight
- 340.1500
- Inchikey
- PQVMQKAGJGBKQC-ZDUSSCGKSA-O
- Inchi
- InChI=1S/C20H21NO4/c1-21(2)7-6-12-9-15-20(25-10-24-15)18-16(12)13(21)8-11-4-5-14(23-3)19(22)17(11)18/h4-5,9,13H,6-8,10H2,1-3H3/p+1/t13-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.9000
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 47.9000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(S)-N-methylbulbocapnine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(S)-N-methylbulbocapnine
Itcmdb Generated
ITX-INGREDIENT-968F7EA515E2
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
340.150
Molecular Formula
C20H22NO4+
Fda Maximum Daily Dose (Fdamdd)
0.973
Quantitative Estimate Of Drug Likeness（Qed）
0.811