Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 37269
- Core Entity Id
- 44631
- Source Entity Count
- 1
- Preferred Name
- Zizyphus saponin iii
- Name En
- Pubchem Id
- 11542924
- Smiles Canonical
- CC(C1C2=C(C(=CC=C2)O)C(=O)O1)O
- Molecular Formula
- C10H10O4
- Molecular Weight
- 194.1860
- Inchikey
- OEVSVHJSZJTZDW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H10O4/c1-5(11)9-6-3-2-4-7(12)8(6)10(13)14-9/h2-5,9,11-12H,1H3
- Isomeric Smiles
- CC(C1C2=C(C(=CC=C2)O)C(=O)O1)O
- Cas Id
- Ob Score
- 12.0100
- Mol Logp
- 0.9845
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6540
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Zizyphus Saponin Iii
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Zizyphus saponin III
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Zizyphus saponin iii
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Zizyphus saponin iii
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Zizyphussaponin III
Role
preferred
Source
TCMBank
Preferred
Yes
Name
大枣
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DA ZAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Date
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3ξ-(1ξ-hydroxyethyl)-7-hydroxy-1-isobenzo-furanone;Zizyphus saponin III
Role
preferred
Source
TCMBank
Preferred
Yes
Name
zizyphus saponin iii
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Zizyphussaponin III大枣DA ZAOChinese Date3ξ-(1ξ-hydroxyethyl)-7-hydroxy-1-isobenzo-furanone;Zizyphus saponin III
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN049027HBIN009775
Tcmid
101032300232265
Tcmsp
MOL012945
Sym Map
SMIT13660SMIT18291SMIT19553
Pub Chem
11542924
Tcmbank
TCMBANKIN000458TCMBANKIN059293
Etcm Ingredient
Zizyphus saponin III
Itcmdb Generated
ITX-INGREDIENT-1288CD1401A6ITX-INGREDIENT-CA52B8DE521D
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H10O4/c1-5(11)9-6-3-2-4-7(12)8(6)10(13)14-9/h2-5,9,11-12H,1H3
Mol Wt
194.186
Smiles
CC(C1C2=C(C(=CC=C2)O)C(=O)O1)O
Mol Log P
0.9844999999999997
Version
v1,v2
In Ch Ikey
OEVSVHJSZJTZDW-UHFFFAOYSA-N
Ob Score
12.0112.01046992
Suppress
1
Tcm Name
大枣
Tcm Name2
DA ZAO
Mol2 Path
/TCM_database/2007_3d_all/23018.mol2
Reference
2, 970, 992
Num Hdonors
2
Tcm Name En
Chinese Date
Drug Likeness
0.654
Num Hacceptors
4
Isomeric Smiles
CC(C1C2=C(C(=CC=C2)O)C(=O)O1)O
Molecule Weight
1045.36
Canonical Smiles
CC(C1C2=C(C(=CC=C2)O)C(=O)O1)O
Molecular Weight
1044.550
Molecular Weight
1045.36
Molecular Formula
C52H84O21
Molecular Formula
C10H10O4
Molecular Formula
C10H10O4
Num Rotatable Bonds
1
Link Ingredient Id
13660.0
Fda Maximum Daily Dose (Fdamdd)
0.136
Quantitative Estimate Of Drug Likeness（Qed）
0.097