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
- 24422
- Core Entity Id
- 30334
- Source Entity Count
- 1
- Preferred Name
- Lespedezol a2
- Name En
- Pubchem Id
- 11742062
- Smiles Canonical
- CC(=CCCC(=CCC1=C2C(=CC(=C1O)O)C3=C(O2)C4=C(C=C(C=C4)O)OC3)C)C
- Molecular Formula
- C25H26O5
- Molecular Weight
- 406.4780
- Inchikey
- DDKLBJZRUKOEJA-VIZOYTHASA-N
- Inchi
- InChI=1S/C25H26O5/c1-14(2)5-4-6-15(3)7-9-18-23(28)21(27)12-19-20-13-29-22-11-16(26)8-10-17(22)24(20)30-25(18)19/h5,7-8,10-12,26-28H,4,6,9,13H2,1-3H3/b15-7+
- Isomeric Smiles
- CC(=CCC/C(=C/CC1=C2C(=CC(=C1O)O)C3=C(O2)C4=C(C=C(C=C4)O)OC3)/C)C
- Cas Id
- Ob Score
- Mol Logp
- 6.3442
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3400
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lespedezol A2
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lespedezol a2
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lespedezol a2
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
HBIN032956
Tcmid
12677
Pub Chem
11742062
Tcmbank
TCMBANKIN039968
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H26O5/c1-14(2)5-4-6-15(3)7-9-18-23(28)21(27)12-19-20-13-29-22-11-16(26)8-10-17(22)24(20)30-25(18)19/h5,7-8,10-12,26-28H,4,6,9,13H2,1-3H3/b15-7+
Mol Wt
406.4780000000002
Mol Log P
6.344200000000007
In Ch Ikey
DDKLBJZRUKOEJA-VIZOYTHASA-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/12683.mol2
Reference
2356
Num Hdonors
3
Tcm Name En
Homoloba Lespedeza*
Drug Likeness
0.34
Num Hacceptors
5
Isomeric Smiles
CC(=CCC/C(=C/CC1=C2C(=CC(=C1O)O)C3=C(O2)C4=C(C=C(C=C4)O)OC3)/C)C
Canonical Smiles
CC(=CCCC(=CCC1=C2C(=CC(=C1O)O)C3=C(O2)C4=C(C=C(C=C4)O)OC3)C)C
Molecular Formula
C25H26O5
Num Rotatable Bonds
5