Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65788
- Core Entity Id
- 128437
- Source Entity Count
- 1
- Preferred Name
- (S)-cis-N-methylstylopine
- Name En
- Pubchem Id
- 5460426
- Smiles Canonical
- C[N+]12CCC3=CC4=C(C=C3C1CC5=C(C2)C6=C(C=C5)OCO6)OCO4
- Molecular Formula
- C20H20NO4+
- Molecular Weight
- 338.1400
- Inchikey
- GBUUKFRQPCPYPW-KKSFZXQISA-N
- Inchi
- InChI=1S/C20H20NO4/c1-21-5-4-13-7-18-19(24-10-23-18)8-14(13)16(21)6-12-2-3-17-20(15(12)9-21)25-11-22-17/h2-3,7-8,16H,4-6,9-11H2,1H3/q+1/t16-,21-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.0000
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 36.9000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(S)-cis-N-methylstylopine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(S)-cis-N-methylstylopine
Itcmdb Generated
ITX-INGREDIENT-0DF97FD50FAF
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
338.140
Molecular Formula
C20H20NO4+
Fda Maximum Daily Dose (Fdamdd)
0.995
Quantitative Estimate Of Drug Likeness（Qed）
0.692