Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7432
- Core Entity Id
- 11442
- Source Entity Count
- 1
- Preferred Name
- 6-acetoxy-9-hydroxy-13(14)-labden-16,15-olide
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C22H34O5
- Molecular Weight
- 379.0000
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.0000
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 73.0000
- Molecular Volume
- 283.0000
- Alogp
- 4.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-Acetoxy-9-Hydroxy-13(14)-Labden-16,15-Olide
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
6-Acetoxy-9-Hydroxy-13(14)-Labden-16,15-Olide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
6-Acetoxy-9-hydroxy-13(14)-labden-16,15-olide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-acetoxy-9-hydroxy-13(14)-labden-16,15-olide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6-acetoxy-9-hydroxy-13(14)-labden-16,15-olide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6-acetoxy-9-hydroxy-13(14)-labden-16,15-olide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
蔓荆子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MAN JING ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Threeleaf Chastetree Fruit
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
蔓荆子MAN JING ZIThreeleaf Chastetree Fruit
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012156
Tcmid
227
Sym Map
SMIT14124
Tcm Id
2096720968
Tcmbank
TCMBANKIN043518
Etcm Ingredient
6-acetoxy-9-hydroxy-13(14)-labden-16,15-olide
Itcmdb Generated
ITX-INGREDIENT-9ECEDB7496B1
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
4
37 Flag
37
C Count
22
N Count
0
O Count
5
P Count
0
S Count
0
Version
v1,v2
Suppress
0
Tcm Name
蔓荆子
Tcm Name2
MAN JING ZI
Mol2 Path
/TCM_database/2007_3d_all/00227.mol2
Reference
2550
Tcm Name En
Threeleaf Chastetree Fruit
Num H Donors
1
Num H Acceptors
5
Molecular Weight
378.240
Molecular Volume
283
Molecular Weight
379
Molecule Formula
C22H34O5
Molecular Formula
C22H34O5
Molecular Formula
C22H34O5
Num Rotatable Bonds
5
Molecular Polar Surface Area
73
Fda Maximum Daily Dose (Fdamdd)
0.042
Quantitative Estimate Of Drug Likeness（Qed）
0.757