Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18860
- Core Entity Id
- 24142
- Source Entity Count
- 1
- Preferred Name
- Eupachinilide f
- Name En
- Pubchem Id
- 10390005
- Smiles Canonical
- CC(=CCO)C(=O)OC1CC(C2C(C3C1C(=C)C(=O)O3)C4(C(C2OC(=O)C)O4)C)(CCl)O
- Molecular Formula
- C22H27ClO9
- Molecular Weight
- 470.9020
- Inchikey
- CXXLXCCCYXUUOP-WJPRSOHTSA-N
- Inchi
- InChI=1S/C22H27ClO9/c1-9(5-6-24)19(26)30-12-7-22(28,8-23)15-14(16-13(12)10(2)20(27)31-16)21(4)18(32-21)17(15)29-11(3)25/h5,12-18,24,28H,2,6-8H2,1,3-4H3/b9-5+/t12-,13-,14?,15?,16+,17+,18-,21+,22+/m1/s1
- Isomeric Smiles
- C/C(=C\CO)/C(=O)O[C@@H]1C[C@@](C2[C@@H]([C@@H]3[C@](C2[C@@H]4[C@@H]1C(=C)C(=O)O4)(O3)C)OC(=O)C)(CCl)O
- Cas Id
- Ob Score
- Mol Logp
- 0.6434
- Num H Donors
- 2
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.1950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Eupachinilide F
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Eupachinilide F
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Eupachinilide f
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Eupachinilide f
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
华泽兰
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUA ZE LAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Eupatorium
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
华泽兰HUA ZE LANChinese Eupatorium
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026106
Tcmid
7544
Pub Chem
10390005
Tcmbank
TCMBANKIN045444
Etcm Ingredient
Eupachinilide F
Itcmdb Generated
ITX-INGREDIENT-6F5B6C99E1E2
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H27ClO9/c1-9(5-6-24)19(26)30-12-7-22(28,8-23)15-14(16-13(12)10(2)20(27)31-16)21(4)18(32-21)17(15)29-11(3)25/h5,12-18,24,28H,2,6-8H2,1,3-4H3/b9-5+/t12-,13-,14?,15?,16+,17+,18-,21+,22+/m1/s1
Mol Wt
470.9020000000003
Mol Log P
0.6433999999999991
In Ch Ikey
CXXLXCCCYXUUOP-WJPRSOHTSA-N
Tcm Name
华泽兰
Tcm Name2
HUA ZE LAN
Mol2 Path
/TCM_database/2007_3d_all/07545.mol2
Reference
4739
Num Hdonors
2
Tcm Name En
Chinese Eupatorium
Drug Likeness
0.195
Num Hacceptors
9
Isomeric Smiles
C/C(=C\CO)/C(=O)O[C@@H]1C[C@@](C2[C@@H]([C@@H]3[C@](C2[C@@H]4[C@@H]1C(=C)C(=O)O4)(O3)C)OC(=O)C)(CCl)O
Canonical Smiles
CC(=CCO)C(=O)OC1CC(C2C(C3C1C(=C)C(=O)O3)C4(C(C2OC(=O)C)O4)C)(CCl)O
Molecular Weight
470.130
Molecular Weight
470.9 g/mol
Molecular Formula
C22H27ClO9
Molecular Formula
C22H27ClO9
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.659
Quantitative Estimate Of Drug Likeness（Qed）
0.150