Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25239
- Core Entity Id
- 31246
- Source Entity Count
- 1
- Preferred Name
- Lycoposerramine j
- Name En
- Pubchem Id
- 11021729
- Smiles Canonical
- CC1=CC2C3CCCN4C3(C1)C(CCC4)C(C2O)O
- Molecular Formula
- C16H25NO2
- Molecular Weight
- 263.3810
- Inchikey
- QNTZOBVSDAZRHK-FGZZBPHYSA-N
- Inchi
- InChI=1S/C16H25NO2/c1-10-8-11-12-4-2-6-17-7-3-5-13(15(19)14(11)18)16(12,17)9-10/h8,11-15,18-19H,2-7,9H2,1H3/t11-,12-,13-,14+,15+,16-/m1/s1
- Isomeric Smiles
- CC1=C[C@@H]2[C@H]3CCCN4[C@@]3(C1)[C@H](CCC4)[C@@H]([C@H]2O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.5488
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6520
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lycoposerramine J
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lycoposerramine j
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lycoposerramine j
Role
preferred
Source
HERB_v2
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
Aliases
Additional names normalized into the restored final schema.
千层塔(蛇足石杉)QIAN CENG TASerrate Clubmoss
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033992
Npass
NPC110638
Tcmid
13222
Pub Chem
11021729
Tcmbank
TCMBANKIN047045
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H25NO2/c1-10-8-11-12-4-2-6-17-7-3-5-13(15(19)14(11)18)16(12,17)9-10/h8,11-15,18-19H,2-7,9H2,1H3/t11-,12-,13-,14+,15+,16-/m1/s1
Mol Wt
263.381
Mol Log P
1.5488
In Ch Ikey
QNTZOBVSDAZRHK-FGZZBPHYSA-N
Tcm Name
千层塔(蛇足石杉)
Tcm Name2
QIAN CENG TA
Mol2 Path
/TCM_database/2007_3d_all/13229.mol2
Reference
4388, 5412
Num Hdonors
2
Tcm Name En
Serrate Clubmoss
Drug Likeness
0.652
Num Hacceptors
3
Isomeric Smiles
CC1=C[C@@H]2[C@H]3CCCN4[C@@]3(C1)[C@H](CCC4)[C@@H]([C@H]2O)O
Canonical Smiles
CC1=CC2C3CCCN4C3(C1)C(CCC4)C(C2O)O
Molecular Weight
263.37 g/mol
Molecular Formula
C16H25NO2
Num Rotatable Bonds
0