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
- 24381
- Core Entity Id
- 30287
- Source Entity Count
- 1
- Preferred Name
- Leopersin a
- Name En
- Pubchem Id
- 101685531
- Smiles Canonical
- CC(=O)OC1(C(=O)CC2C(CCCC2(C13CCC4(O3)CC(=O)OC4)C)(C)C)C
- Molecular Formula
- C22H32O6
- Molecular Weight
- 392.4920
- Inchikey
- RQLCYKFHKADHTG-MBDOPNELSA-N
- Inchi
- InChI=1S/C22H32O6/c1-14(23)27-20(5)16(24)11-15-18(2,3)7-6-8-19(15,4)22(20)10-9-21(28-22)12-17(25)26-13-21/h15H,6-13H2,1-5H3/t15-,19-,20-,21+,22-/m0/s1
- Isomeric Smiles
- CC(=O)O[C@]1(C(=O)C[C@@H]2[C@@]([C@@]13CC[C@@]4(O3)CC(=O)OC4)(CCCC2(C)C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.3485
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Leopersin A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Leopersin a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Leopersin a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
波斯益母草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BO SI YI MU CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Persia Motherwort*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
波斯益母草BO SI YI MU CAOPersia Motherwort*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032911
Tcmid
12642
Pub Chem
101685531
Tcmbank
TCMBANKIN049030
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H32O6/c1-14(23)27-20(5)16(24)11-15-18(2,3)7-6-8-19(15,4)22(20)10-9-21(28-22)12-17(25)26-13-21/h15H,6-13H2,1-5H3/t15-,19-,20-,21+,22-/m0/s1
Mol Wt
392.4920000000002
Mol Log P
3.348500000000001
In Ch Ikey
RQLCYKFHKADHTG-MBDOPNELSA-N
Tcm Name
波斯益母草
Tcm Name2
BO SI YI MU CAO
Mol2 Path
/TCM_database/2007_3d_all/12647.mol2
Reference
2499
Num Hdonors
0
Tcm Name En
Persia Motherwort*
Drug Likeness
0.637
Num Hacceptors
6
Isomeric Smiles
CC(=O)O[C@]1(C(=O)C[C@@H]2[C@@]([C@@]13CC[C@@]4(O3)CC(=O)OC4)(CCCC2(C)C)C)C
Canonical Smiles
CC(=O)OC1(C(=O)CC2C(CCCC2(C13CCC4(O3)CC(=O)OC4)C)(C)C)C
Molecular Weight
392.5 g/mol
Molecular Formula
C22H32O6
Num Rotatable Bonds
1