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
- 18861
- Core Entity Id
- 24143
- Source Entity Count
- 1
- Preferred Name
- Eupachinilide g
- Name En
- Pubchem Id
- 101731297
- Smiles Canonical
- CC1C(O1)(C)C(=O)OC2CC(=C3C=CC(C3C4C2C(=C)C(=O)O4)(C)O)C=O
- Molecular Formula
- C20H22O7
- Molecular Weight
- 374.3890
- Inchikey
- SGEYSJZTBIOROY-CZNWKUDKSA-N
- Inchi
- InChI=1S/C20H22O7/c1-9-14-13(25-18(23)20(4)10(2)27-20)7-11(8-21)12-5-6-19(3,24)15(12)16(14)26-17(9)22/h5-6,8,10,13-16,24H,1,7H2,2-4H3/t10?,13-,14-,15?,16+,19-,20?/m1/s1
- Isomeric Smiles
- CC1C(O1)(C)C(=O)O[C@@H]2CC(=C3C=C[C@@](C3[C@@H]4[C@@H]2C(=C)C(=O)O4)(C)O)C=O
- Cas Id
- Ob Score
- Mol Logp
- 1.0096
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.3400
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Eupachinilide G
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Eupachinilide g
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Eupachinilide g
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
eupachinilide g
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026107
Npass
NPC128712
Tcmid
7545
Pub Chem
101731297
Tcmbank
TCMBANKIN047777
Etcm Ingredient
Eupachinilide G
Itcmdb Generated
ITX-INGREDIENT-074E110AA83E
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H22O7/c1-9-14-13(25-18(23)20(4)10(2)27-20)7-11(8-21)12-5-6-19(3,24)15(12)16(14)26-17(9)22/h5-6,8,10,13-16,24H,1,7H2,2-4H3/t10?,13-,14-,15?,16+,19-,20?/m1/s1
Mol Wt
374.3890000000001
Smiles
CC1C(O1)(C)C(=O)OC2CC(=C3C=CC(C3C4C2C(=C)C(=O)O4)(C)O)C=O
Mol Log P
1.0096
In Ch Ikey
SGEYSJZTBIOROY-CZNWKUDKSA-N
Mol2 Path
/TCM_database/2007_3d_all/07546.mol2
Reference
4739
Num Hdonors
1
Drug Likeness
0.34
Num Hacceptors
7
Isomeric Smiles
CC1C(O1)(C)C(=O)O[C@@H]2CC(=C3C=C[C@@](C3[C@@H]4[C@@H]2C(=C)C(=O)O4)(C)O)C=O
Canonical Smiles
CC1C(O1)(C)C(=O)OC2CC(=C3C=CC(C3C4C2C(=C)C(=O)O4)(C)O)C=O
Molecular Weight
374.140
Molecular Weight
374.4 g/mol
Molecular Formula
C20H22O7
Molecular Formula
C20H22O7
Molecular Formula
C20H22O7
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.542
Quantitative Estimate Of Drug Likeness（Qed）
0.340