Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9791
- Core Entity Id
- 14051
- Source Entity Count
- 1
- Preferred Name
- Agave americana compound 4
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C50H80O23
- Molecular Weight
- 1048.5100
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Agave americana Compound 4
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Agave americana compound 4
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Agave americana compound 4
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
agave americana compound 4
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014835
Tcmid
715
Tcmbank
TCMBANKIN049791
Etcm Ingredient
Agave americana Compound 4
Itcmdb Generated
ITX-INGREDIENT-0192643769C3
Attributes
Merged source attributes and domain-specific metadata.
Mol2 Path
/TCM_database/2007_3d_all/00715.mol2
Reference
2503
Molecular Weight
1048.510
Molecular Formula
C50H80O23
Molecular Formula
C50H80O23
Molecular Formula
C50H80O23
Fda Maximum Daily Dose (Fdamdd)
0.031
Quantitative Estimate Of Drug Likeness（Qed）
0.091