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
- 24403
- Core Entity Id
- 30313
- Source Entity Count
- 1
- Preferred Name
- Lespedezol a5
- Name En
- Pubchem Id
- 101040104
- Smiles Canonical
- CC(=CCCC(=CCC1=C(C(=C(C2=C1OC3=C2COC4=C3C=CC(=C4)O)C(=O)OC)O)O)C)C
- Molecular Formula
- C27H28O7
- Molecular Weight
- 464.5140
- Inchikey
- HEOXCFPTWPWVSG-OVCLIPMQSA-N
- Inchi
- InChI=1S/C27H28O7/c1-14(2)6-5-7-15(3)8-10-18-23(29)24(30)22(27(31)32-4)21-19-13-33-20-12-16(28)9-11-17(20)25(19)34-26(18)21/h6,8-9,11-12,28-30H,5,7,10,13H2,1-4H3/b15-8+
- Isomeric Smiles
- CC(=CCC/C(=C/CC1=C(C(=C(C2=C1OC3=C2COC4=C3C=CC(=C4)O)C(=O)OC)O)O)/C)C
- Cas Id
- Ob Score
- Mol Logp
- 6.1308
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.2290
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lespedezol A5
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lespedezol a5
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lespedezol a5
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
HBIN032959
Tcmid
12680
Pub Chem
101040104
Tcmbank
TCMBANKIN046151
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C27H28O7/c1-14(2)6-5-7-15(3)8-10-18-23(29)24(30)22(27(31)32-4)21-19-13-33-20-12-16(28)9-11-17(20)25(19)34-26(18)21/h6,8-9,11-12,28-30H,5,7,10,13H2,1-4H3/b15-8+
Mol Wt
464.5140000000002
Mol Log P
6.130800000000008
In Ch Ikey
HEOXCFPTWPWVSG-OVCLIPMQSA-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/12686.mol2
Reference
2357
Num Hdonors
3
Tcm Name En
Homoloba Lespedeza*
Drug Likeness
0.229
Num Hacceptors
7
Isomeric Smiles
CC(=CCC/C(=C/CC1=C(C(=C(C2=C1OC3=C2COC4=C3C=CC(=C4)O)C(=O)OC)O)O)/C)C
Canonical Smiles
CC(=CCCC(=CCC1=C(C(=C(C2=C1OC3=C2COC4=C3C=CC(=C4)O)C(=O)OC)O)O)C)C
Molecular Formula
C27H28O7
Num Rotatable Bonds
6