Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 2Ingredient: 1Target: 9Links: 20
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15864
- Core Entity Id
- 20801
- Source Entity Count
- 1
- Preferred Name
- Cyclo-(leu-ser)
- Name En
- Pubchem Id
- 57396597
- Smiles Canonical
- CC(C)CC1C(=O)NC(C(=O)N1)CO
- Molecular Formula
- C9H16N2O3
- Molecular Weight
- 200.2380
- Inchikey
- ANLAGVXTPHOKLD-BQBZGAKWSA-N
- Inchi
- InChI=1S/C9H16N2O3/c1-5(2)3-6-8(13)11-7(4-12)9(14)10-6/h5-7,12H,3-4H2,1-2H3,(H,10,14)(H,11,13)/t6-,7-/m0/s1
- Isomeric Smiles
- CC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)CO
- Cas Id
- Ob Score
- Mol Logp
- -0.9920
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5470
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cyclo-(Leu-Ser)
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Cyclo-(Leu-Ser)
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cyclo-(Leu-Ser)
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cyclo-(Leu-Ser)
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cyclo-(leu-ser)
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cyclo-(leu-ser)
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
三七
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SAN QI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sanchi
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
CHEMBL1957405
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1957405
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
三七SAN QISanchiCHEMBL1957405
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022293
Npass
NPC137327
Tcmid
4506
Sym Map
SMIT14856
Pub Chem
57396597
Tcmbank
TCMBANKIN047183
Etcm Ingredient
Cyclo-(Leu-Ser)
Itcmdb Generated
ITX-INGREDIENT-44082832AD5E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H16N2O3/c1-5(2)3-6-8(13)11-7(4-12)9(14)10-6/h5-7,12H,3-4H2,1-2H3,(H,10,14)(H,11,13)/t6-,7-/m0/s1
Mol Wt
200.238
Mol Log P
-0.9919999999999993
Version
v1,v2
In Ch Ikey
ANLAGVXTPHOKLD-BQBZGAKWSA-N
Suppress
0
Tcm Name
三七
Tcm Name2
SAN QI
Mol2 Path
/TCM_database/2007_3d_all/04507.mol2
Reference
2487, 4551
Num Hdonors
3
Tcm Name En
Sanchi
Drug Likeness
0.547
Num Hacceptors
3
Isomeric Smiles
CC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)CO
Canonical Smiles
CC(C)CC1C(=O)NC(C(=O)N1)CO
Herb Alias Names
CHEMBL1957405
Molecular Weight
200.120
Molecule Formula
C9H16N2O3
Molecular Formula
C9H16N2O3
Molecular Formula
C9H16N2O3
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.010
Quantitative Estimate Of Drug Likeness（Qed）
0.547