Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 13Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69130
- Core Entity Id
- 131779
- Source Entity Count
- 1
- Preferred Name
- 6490C9U457
- Name En
- Pubchem Id
- 4891
- Smiles Canonical
- C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2
- Molecular Formula
- C38H48N4O4
- Molecular Weight
- 624.3700
- Inchikey
- FSVJFNAIGNNGKK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.7000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 40.6000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6490C9U457
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
6490C9U457
Itcmdb Generated
ITX-INGREDIENT-20E6DF92292E
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
624.370
Molecular Formula
C38H48N4O4
Fda Maximum Daily Dose (Fdamdd)
0.869
Quantitative Estimate Of Drug Likeness（Qed）
0.799