Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24437
- Core Entity Id
- 30351
- Source Entity Count
- 1
- Preferred Name
- Lespedezol e
- Name En
- Pubchem Id
- 101040113
- Smiles Canonical
- CC1=C(C2=C(C=C1O)OCC(C2=O)C3=CC(=C(C=C3O)O)OC)O
- Molecular Formula
- C17H16O7
- Molecular Weight
- 332.3080
- Inchikey
- JEHZELNRHHBZFM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H16O7/c1-7-10(18)5-14-15(16(7)21)17(22)9(6-24-14)8-3-13(23-2)12(20)4-11(8)19/h3-5,9,18-21H,6H2,1-2H3
- Isomeric Smiles
- CC1=C(C2=C(C=C1O)OCC(C2=O)C3=CC(=C(C=C3O)O)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 2.1849
- Num H Donors
- 4
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lespedezol E
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lespedezol e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lespedezol e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
同形裂片胡枝子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TONG XING LIE PIAN HU ZHI ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Homoloba Lespedeza*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
同形裂片胡枝子TONG XING LIE PIAN HU ZHI ZIHomoloba Lespedeza*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032972
Npass
NPC169078
Tcmid
12693
Pub Chem
101040113
Tcmbank
TCMBANKIN040149
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H16O7/c1-7-10(18)5-14-15(16(7)21)17(22)9(6-24-14)8-3-13(23-2)12(20)4-11(8)19/h3-5,9,18-21H,6H2,1-2H3
Mol Wt
332.308
Mol Log P
2.184920000000001
In Ch Ikey
JEHZELNRHHBZFM-UHFFFAOYSA-N
Tcm Name
同形裂片胡枝子
Tcm Name2
TONG XING LIE PIAN HU ZHI ZI
Mol2 Path
/TCM_database/2007_3d_all/12699.mol2
Reference
2357
Num Hdonors
4
Tcm Name En
Homoloba Lespedeza*
Drug Likeness
0.666
Num Hacceptors
7
Isomeric Smiles
CC1=C(C2=C(C=C1O)OCC(C2=O)C3=CC(=C(C=C3O)O)OC)O
Canonical Smiles
CC1=C(C2=C(C=C1O)OCC(C2=O)C3=CC(=C(C=C3O)O)OC)O
Molecular Weight
332.3 g/mol
Molecular Formula
C17H16O7
Num Rotatable Bonds
2