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: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25235
- Core Entity Id
- 31241
- Source Entity Count
- 1
- Preferred Name
- Lycoposerramine f
- Name En
- Pubchem Id
- 101751330
- Smiles Canonical
- CC1CC2CC(=O)C3(CCC[N+]4(C3(C1)C2(CCC4)O)[O-])O
- Molecular Formula
- C16H25NO4
- Molecular Weight
- 295.3790
- Inchikey
- WMUIASLWVLLWKH-YTTOLDSJSA-N
- Inchi
- InChI=1S/C16H25NO4/c1-11-8-12-9-13(18)15(20)5-3-7-17(21)6-2-4-14(12,19)16(15,17)10-11/h11-12,19-20H,2-10H2,1H3/t11-,12+,14+,15+,16?,17?/m1/s1
- Isomeric Smiles
- C[C@@H]1C[C@H]2CC(=O)[C@]3(CCC[N+]4(C3(C1)[C@@]2(CCC4)O)[O-])O
- Cas Id
- Ob Score
- Mol Logp
- 1.1085
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5180
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lycoposerramine F
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lycoposerramine f
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lycoposerramine f
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
千层塔(蛇足石杉)
Role
TCM_name
Source
TCMBank
Preferred
No
Name
QIAN CENG TA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Serrate Clubmoss
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
CHEBI:143061
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:143061
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
千层塔(蛇足石杉)QIAN CENG TASerrate ClubmossCHEBI:143061
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033988
Npass
NPC31644
Tcmid
13218
Pub Chem
101751330
Tcmbank
TCMBANKIN045896
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H25NO4/c1-11-8-12-9-13(18)15(20)5-3-7-17(21)6-2-4-14(12,19)16(15,17)10-11/h11-12,19-20H,2-10H2,1H3/t11-,12+,14+,15+,16?,17?/m1/s1
Mol Wt
295.379
Mol Log P
1.1085
In Ch Ikey
WMUIASLWVLLWKH-YTTOLDSJSA-N
Tcm Name
千层塔(蛇足石杉)
Tcm Name2
QIAN CENG TA
Mol2 Path
/TCM_database/2007_3d_all/13225.mol2
Reference
5412, 4388
Num Hdonors
2
Tcm Name En
Serrate Clubmoss
Drug Likeness
0.518
Num Hacceptors
4
Isomeric Smiles
C[C@@H]1C[C@H]2CC(=O)[C@]3(CCC[N+]4(C3(C1)[C@@]2(CCC4)O)[O-])O
Canonical Smiles
CC1CC2CC(=O)C3(CCC[N+]4(C3(C1)C2(CCC4)O)[O-])O
Herb Alias Names
CHEBI:143061
Molecular Weight
295.37 g/mol
Molecular Formula
C16H25NO4
Num Rotatable Bonds
0