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
- 28090
- Core Entity Id
- 34408
- Source Entity Count
- 1
- Preferred Name
- Nupharidine
- Name En
- Pubchem Id
- 9548786
- Smiles Canonical
- CC1CCC2C(CCC([N+]2(C1)[O-])C3=COC=C3)C
- Molecular Formula
- C15H23NO2
- Molecular Weight
- 249.3540
- Inchikey
- HISDAJRMKAJROU-PTNZTPPNSA-N
- Inchi
- InChI=1S/C15H23NO2/c1-11-3-5-14-12(2)4-6-15(16(14,17)9-11)13-7-8-18-10-13/h7-8,10-12,14-15H,3-6,9H2,1-2H3/t11-,12+,14-,15-,16+/m0/s1
- Isomeric Smiles
- C[C@H]1CC[C@H]2[C@@H](CC[C@H]([N@+]2(C1)[O-])C3=COC=C3)C
- Cas Id
- Ob Score
- Mol Logp
- 3.8637
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5590
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Nupharidine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Nupharidine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Nupharidine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
日本萍蓬草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
RI BEN PING PENG CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Cowlily*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+)-Nupharidine
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-Nupharidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,4S,5R,7S,9aS)-4-(furan-3-yl)-1,7-dimethyl-5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,4S,5R,7S,9aS)-4-(furan-3-yl)-1,7-dimethyl-5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium
Role
alias
Source
HERB_v2
Preferred
No
Name
1XQ28IQ8WA
Role
alias
Source
HERB_v2
Preferred
No
Name
1XQ28IQ8WA
Role
alias
Source
itcmdb_public
Preferred
No
Name
468-89-3
Role
alias
Source
HERB_v2
Preferred
No
Name
468-89-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:36285
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:36285
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60429536
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60429536
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nupharidine [MI]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nupharidine [MI]
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-1XQ28IQ8WA
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-1XQ28IQ8WA
Role
alias
Source
itcmdb_public
Preferred
No
Name
Deoxynupharidine; (-)-form,n-oxide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
deoxynupharidine; (-)-form,n-oxide
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
日本萍蓬草RI BEN PING PENG CAOJapanese Cowlily*(+)-Nupharidine(1R,4S,5R,7S,9aS)-4-(furan-3-yl)-1,7-dimethyl-5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium1XQ28IQ8WA468-89-3CHEBI:36285DTXSID60429536Nupharidine [MI]UNII-1XQ28IQ8WADeoxynupharidine; (-)-form,n-oxide
Cross References
Trusted external identifiers retained for this final record.
Cas
468-89-3
Herb
HBIN037593HBIN023384
Npass
NPC473444
Tcmid
15859
Tcm Id
212492185249224996
Pub Chem
9548786
Tcmbank
TCMBANKIN044126TCMBANKIN028216
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H23NO2/c1-11-3-5-14-12(2)4-6-15(16(14,17)9-11)13-7-8-18-10-13/h7-8,10-12,14-15H,3-6,9H2,1-2H3/t11-,12+,14-,15-,16+/m0/s1
Mol Wt
249.354
Mol Log P
3.863700000000003
In Ch Ikey
HISDAJRMKAJROU-PTNZTPPNSA-N
Tcm Name
日本萍蓬草
Tcm Name2
RI BEN PING PENG CAO
Mol2 Path
/TCM_database/2007_3d_all/15868.mol2
Reference
2770
Num Hdonors
0
Tcm Name En
Japanese Cowlily*
Drug Likeness
0.559
Num Hacceptors
2
Isomeric Smiles
C[C@H]1CC[C@H]2[C@@H](CC[C@H]([N@+]2(C1)[O-])C3=COC=C3)C
Canonical Smiles
CC1CCC2C(CCC([N+]2(C1)[O-])C3=COC=C3)C
Herb Alias Names
(+)-NupharidineNupharidine [MI]Nupharidine, (+)-468-89-3UNII-1XQ28IQ8WA1XQ28IQ8WACHEBI:36285(1R,4S,5R,7S,9aS)-4-(furan-3-yl)-1,7-dimethyl-5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-iumDTXSID60429536
Molecular Weight
249.35 g/mol
Molecular Formula
C15H23NO2
Molecular Formula
C15H23NO2
Num Rotatable Bonds
1