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
- 46246
- Core Entity Id
- 89257
- Source Entity Count
- 1
- Preferred Name
- Apetalic acid methyl ester
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C23H30O6
- Molecular Weight
- 402.2000
- 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
Apetalic acid methyl ester
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Apetalic acid methyl ester
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN021111
Etcm Ingredient
Apetalic acid methyl ester
Itcmdb Generated
ITX-INGREDIENT-0172C8F36366ITX-INGREDIENT-7ADA0A297F64
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
兰屿胡桐
Tcm Name2
Calophyllum blancoi
Mol2 Path
/TCM_database/2007_3d_all/01472.mol2
Reference
4274
Molecular Weight
402.200
Molecular Formula
C23H30O6
Fda Maximum Daily Dose (Fdamdd)
0.908
Quantitative Estimate Of Drug Likeness（Qed）
0.724