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
- 41950
- Core Entity Id
- 84961
- Source Entity Count
- 1
- Preferred Name
- Gonioffithine
- Name En
- Pubchem Id
- 5317823
- Smiles Canonical
- COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC(=C3O)OC
- Molecular Formula
- C17H13NO4
- Molecular Weight
- 295.0800
- Inchikey
- QKAHURDEAZTVNH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H13NO4/c1-21-12-5-3-4-8-9(12)6-11-14-10(17(20)18-11)7-13(22-2)16(19)15(8)14/h3-7,19H,1-2H3,(H,18,20)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.9000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 67.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Gonioffithine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Gonioffithine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
大花哥纳香
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DA HUA GE NA XIANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Bigflower Goniothalamus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
大花哥纳香DA HUA GE NA XIANGBigflower Goniothalamus
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN006283
Etcm Ingredient
Gonioffithine
Itcmdb Generated
ITX-INGREDIENT-6ABF9B4B5224ITX-INGREDIENT-82B2E40E4332
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
大花哥纳香
Tcm Name2
DA HUA GE NA XIANG
Mol2 Path
/TCM_database/2007_3d_all/08937.mol2
Reference
848, 5453
Tcm Name En
Bigflower Goniothalamus
Molecular Weight
295.080
Molecular Formula
C17H13NO4
Fda Maximum Daily Dose (Fdamdd)
0.619
Quantitative Estimate Of Drug Likeness（Qed）
0.712