Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Experiment: 6Herb: 2Ingredient: 1Meta-analysis: 5Reference: 1Target: 12Links: 26
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29962
- Core Entity Id
- 36486
- Source Entity Count
- 1
- Preferred Name
- Pilocarpine
- Name En
- Pubchem Id
- 5910
- Smiles Canonical
- CCC1C(COC1=O)CC2=CN=CN2C
- Molecular Formula
- C11H16N2O2
- Molecular Weight
- 208.2610
- Inchikey
- QCHFTSOMWOSFHM-WPRPVWTQSA-N
- Inchi
- InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
- Isomeric Smiles
- CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C
- Cas Id
- Ob Score
- Mol Logp
- 1.1618
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7000
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Pilocarpine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Pilocarpine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pilocarpine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
毛果芸香
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MAO GUO YUN XIANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
(+)-Pilocarpine
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-Pilocarpine
Role
alias
Source
itcmdb_public
Preferred
No
Name
92-13-7
Role
alias
Source
HERB_v2
Preferred
No
Name
92-13-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ocusert pilo
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ocusert pilo
Role
alias
Source
HERB_v2
Preferred
No
Name
Pilocarpin
Role
alias
Source
HERB_v2
Preferred
No
Name
Pilocarpin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pilocarpol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pilocarpol
Role
alias
Source
HERB_v2
Preferred
No
Name
Pilokarpin
Role
alias
Source
HERB_v2
Preferred
No
Name
Pilokarpin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pilokarpol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pilokarpol
Role
alias
Source
HERB_v2
Preferred
No
Name
Spersacarpine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Spersacarpine
Role
alias
Source
HERB_v2
Preferred
No
Name
Syncarpine
Role
alias
Source
HERB_v2
Preferred
No
Name
Syncarpine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
毛果芸香MAO GUO YUN XIANG(+)-Pilocarpine92-13-7Ocusert piloPilocarpinPilocarpolPilokarpinPilokarpolSpersacarpineSyncarpine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039919
Tcmid
17346
Tcm Id
1106311064174523675
Pub Chem
5910
Tcmbank
TCMBANKIN037915
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
Mol Wt
208.261
Mol Log P
1.1618
In Ch Ikey
QCHFTSOMWOSFHM-WPRPVWTQSA-N
Tcm Name
毛果芸香
Tcm Name2
MAO GUO YUN XIANG
Mol2 Path
/TCM_database/2007_3d_all/17360.mol2
Reference
658, 5505, 5507
Num Hdonors
0
Drug Likeness
0.7
Num Hacceptors
4
Isomeric Smiles
CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C
Canonical Smiles
CCC1C(COC1=O)CC2=CN=CN2C
Herb Alias Names
92-13-7PilokarpinPilocarpolSyncarpinePilocarpinOcusert piloSpersacarpinePilokarpol(+)-Pilocarpine
Molecular Weight
208.26 g/mol
Molecular Formula
C11H16N2O2
Num Rotatable Bonds
3