Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 71051
- Core Entity Id
- 133700
- Source Entity Count
- 1
- Preferred Name
- compound 7
- Name En
- Pubchem Id
- 950368
- Smiles Canonical
- C1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)NC(=O)C(=C3)C(=O)O)N
- Molecular Formula
- C41H49N7O4S
- Molecular Weight
- 735.3600
- Inchikey
- OJHMDRZMENMQFP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10N2O4S/c16-10-8-6-9(15(20)21)13(19)17-14(8)22-12(10)11(18)7-4-2-1-3-5-7/h1-6H,16H2,(H,17,19)(H,20,21)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.2000
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 138.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
compound 7
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
compound 7
Itcmdb Generated
ITX-INGREDIENT-FD6566CBD6EA
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
735.360
Molecular Formula
C41H49N7O4S
Fda Maximum Daily Dose (Fdamdd)
0.700
Quantitative Estimate Of Drug Likeness（Qed）
0.046