Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 5Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 52601
- Core Entity Id
- 95612
- Source Entity Count
- 1
- Preferred Name
- Aristolactam AIIIa
- Name En
- Pubchem Id
- 10356352
- Smiles Canonical
- COC1=C(C=C2C3=C(C=C4C=CC(=CC4=C31)O)NC2=O)O
- Molecular Formula
- C16H11NO4
- Molecular Weight
- 281.0700
- Inchikey
- PFXGXKFPTAJYHV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H11NO4/c1-21-15-12(19)6-10-13-11(17-16(10)20)4-7-2-3-8(18)5-9(7)14(13)15/h2-6,18-19H,1H3,(H,17,20)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.6000
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 78.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Aristolactam AIIIa
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Aristolactam AIIIa
Role
preferred
Source
TCMBank
Preferred
Yes
Name
块茎马兜铃
Role
TCM_name
Source
TCMBank
Preferred
No
Name
KUAI JING MA DOU LING
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Tuberous Dutchmanspipe
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
块茎马兜铃KUAI JING MA DOU LINGTuberous Dutchmanspipe
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN046819
Etcm Ingredient
Aristolactam AIIIa
Itcmdb Generated
ITX-INGREDIENT-647FB2B4F3E2ITX-INGREDIENT-D0FDDD0E6D05
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
块茎马兜铃
Tcm Name2
KUAI JING MA DOU LING
Mol2 Path
/TCM_database/2007_3d_all/01693.mol2
Reference
1317, 1318, 3026
Tcm Name En
Tuberous Dutchmanspipe
Molecular Weight
281.070
Molecular Formula
C16H11NO4
Fda Maximum Daily Dose (Fdamdd)
0.913
Quantitative Estimate Of Drug Likeness（Qed）
0.599