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
- 51654
- Core Entity Id
- 94665
- Source Entity Count
- 1
- Preferred Name
- Irisquinone A
- Name En
- Pubchem Id
- 5318483
- Smiles Canonical
- CCCCCCC=CCCCCCCCCCC1=CC(=O)C=C(C1=O)OC
- Molecular Formula
- C24H38O3
- Molecular Weight
- 374.2800
- Inchikey
- YYCCUFKHCNSRIA-HJWRWDBZSA-N
- Inchi
- InChI=1S/C24H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-22(25)20-23(27-2)24(21)26/h8-9,19-20H,3-7,10-18H2,1-2H3/b9-8-
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 8.2000
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 16
- Drug Likeness
- Polar Surface Area
- 43.4000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Irisquinone A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Irisquinone A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
马蔺子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MA LIN ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Iris
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
马蔺子MA LIN ZIChinese Iris
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN040466
Etcm Ingredient
Irisquinone A
Itcmdb Generated
ITX-INGREDIENT-02931ABC441CITX-INGREDIENT-65EE0A6028AA
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
马蔺子
Tcm Name2
MA LIN ZI
Mol2 Path
/TCM_database/2007_3d_all/11179.mol2
Reference
658, 3124, 3125, 3126, 5369, 5508
Tcm Name En
Chinese Iris
Molecular Weight
374.280
Molecular Formula
C24H38O3
Fda Maximum Daily Dose (Fdamdd)
0.439
Quantitative Estimate Of Drug Likeness（Qed）
0.191