Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24383
- Core Entity Id
- 30291
- Source Entity Count
- 1
- Preferred Name
- Leopersin c
- Name En
- Pubchem Id
- 10521953
- Smiles Canonical
- CC1C(C(=O)C2C(CCCC2(C13CCC4(O3)CC(OC4)O)C)(C)C)O
- Molecular Formula
- C20H32O5
- Molecular Weight
- 352.4710
- Inchikey
- SDWMGUVLMJYDMR-PPOCFTBCSA-N
- Inchi
- InChI=1S/C20H32O5/c1-12-14(22)15(23)16-17(2,3)6-5-7-18(16,4)20(12)9-8-19(25-20)10-13(21)24-11-19/h12-14,16,21-22H,5-11H2,1-4H3/t12-,13+,14-,16+,18+,19-,20-/m1/s1
- Isomeric Smiles
- C[C@@H]1[C@H](C(=O)[C@@H]2[C@@]([C@@]13CC[C@@]4(O3)C[C@H](OC4)O)(CCCC2(C)C)C)O
- Cas Id
- Ob Score
- Mol Logp
- 2.4254
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7000
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Leopersin C
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Leopersin C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Leopersin C
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Leopersin C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Leopersin c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Leopersin c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
益母草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YI MU CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Wormwood-like Motherwort
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
15-Epileopersin C
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
15-epileopersin c
Role
preferred
Source
HERB_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
益母草YI MU CAOWormwood-like Motherwort15-Epileopersin C
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032913HBIN001673
Npass
NPC261979NPC75840
Tcmid
126446946
Sym Map
SMIT16275SMIT15263
Pub Chem
1052195315548655
Tcmbank
TCMBANKIN048459TCMBANKIN037899
Etcm Ingredient
Leopersin C15-Epileopersin C
Itcmdb Generated
ITX-INGREDIENT-66683A90DE3DITX-INGREDIENT-B21D97B70BD8
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H32O5/c1-12-14(22)15(23)16-17(2,3)6-5-7-18(16,4)20(12)9-8-19(25-20)10-13(21)24-11-19/h12-14,16,21-22H,5-11H2,1-4H3/t12-,13+,14-,16+,18+,19-,20-/m1/s1
Mol Wt
352.4710000000001
Mol Log P
2.4254
Version
v1,v2
In Ch Ikey
SDWMGUVLMJYDMR-PPOCFTBCSA-N
Suppress
0
Tcm Name
益母草
Tcm Name2
YI MU CAO
Mol2 Path
/TCM_database/2007_3d_all/12649.mol2
Reference
2499, 4534
Num Hdonors
2
Tcm Name En
Wormwood-like Motherwort
Drug Likeness
0.7
Num Hacceptors
5
Isomeric Smiles
C[C@@H]1[C@H](C(=O)[C@@H]2[C@@]([C@@]13CC[C@@]4(O3)C[C@H](OC4)O)(CCCC2(C)C)C)O
Canonical Smiles
CC1C(C(=O)C2C(CCCC2(C13CCC4(O3)CC(OC4)O)C)(C)C)O
Molecular Weight
352.220
Molecular Weight
352.5 g/mol
Molecule Formula
C20H32O5
Molecular Formula
C20H32O5
Molecular Formula
C20H32O5
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.922
Quantitative Estimate Of Drug Likeness（Qed）
0.700