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
- 18888
- Core Entity Id
- 24174
- Source Entity Count
- 1
- Preferred Name
- Eupalinilide g
- Name En
- Pubchem Id
- 11474825
- Smiles Canonical
- CC(=CCO)C(=O)OC1CC2(CO2)C3C(C4C1C(=C)C(=O)O4)C5(C(C3O)O5)C
- Molecular Formula
- C20H24O8
- Molecular Weight
- 392.4040
- Inchikey
- FGUYAMCTGOJAHQ-GQEGKNDZSA-N
- Inchi
- InChI=1S/C20H24O8/c1-8(4-5-21)17(23)26-10-6-20(7-25-20)12-13(19(3)16(28-19)14(12)22)15-11(10)9(2)18(24)27-15/h4,10-16,21-22H,2,5-7H2,1,3H3/b8-4+/t10-,11-,12+,13+,14+,15+,16-,19+,20+/m1/s1
- Isomeric Smiles
- C/C(=C\CO)/C(=O)O[C@@H]1C[C@]2(CO2)[C@H]3[C@@H]([C@@H]4[C@@H]1C(=C)C(=O)O4)[C@]5([C@@H]([C@H]3O)O5)C
- Cas Id
- Ob Score
- Mol Logp
- -0.1283
- Num H Donors
- 2
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.3870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Eupalinilide G
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Eupalinilide G
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Eupalinilide g
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Eupalinilide g
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
秤杆升麻
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHENG GAN SHENG MA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Lindley Eupatorium
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
6,12-diolid-2-oicacid
Role
alias
Source
TCMBank
Preferred
No
Name
8β-tigloyloxy-2,3-seco-6βh,7αh-helianga-4z,11(13)-diene-3,10β
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
秤杆升麻CHENG GAN SHENG MALindley Eupatorium6,12-diolid-2-oicacid8β-tigloyloxy-2,3-seco-6βh,7αh-helianga-4z,11(13)-diene-3,10β
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026135HBIN013675
Npass
NPC185787
Tcmid
213647572
Pub Chem
11474825
Tcmbank
TCMBANKIN023949TCMBANKIN058903
Etcm Ingredient
Eupalinilide G
Itcmdb Generated
ITX-INGREDIENT-B994370643C2ITX-INGREDIENT-D81C240D72D0
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H24O8/c1-8(4-5-21)17(23)26-10-6-20(7-25-20)12-13(19(3)16(28-19)14(12)22)15-11(10)9(2)18(24)27-15/h4,10-16,21-22H,2,5-7H2,1,3H3/b8-4+/t10-,11-,12+,13+,14+,15+,16-,19+,20+/m1/s1
Mol Wt
392.4040000000002
Smiles
CC(=CCO)C(=O)OC1CC2(CO2)C3C(C4C1C(=C)C(=O)O4)C5(C(C3O)O5)C
Mol Log P
-0.1283000000000002
In Ch Ikey
FGUYAMCTGOJAHQ-GQEGKNDZSA-N
Tcm Name
秤杆升麻
Tcm Name2
CHENG GAN SHENG MA
Mol2 Path
/TCM_database/2007_3d_all/07573.mol2
Reference
4762
Num Hdonors
2
Tcm Name En
Lindley Eupatorium
Drug Likeness
0.387
Num Hacceptors
8
Isomeric Smiles
C/C(=C\CO)/C(=O)O[C@@H]1C[C@]2(CO2)[C@H]3[C@@H]([C@@H]4[C@@H]1C(=C)C(=O)O4)[C@]5([C@@H]([C@H]3O)O5)C
Canonical Smiles
CC(=CCO)C(=O)OC1CC2(CO2)C3C(C4C1C(=C)C(=O)O4)C5(C(C3O)O5)C
Molecular Weight
392.150
Molecular Weight
392.4 g/mol
Molecular Formula
C20H24O8
Molecular Formula
C20H24O8
Molecular Formula
C20H24O8
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.071
Quantitative Estimate Of Drug Likeness（Qed）
0.311