Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28021
- Core Entity Id
- 34331
- Source Entity Count
- 1
- Preferred Name
- N-oxysophocarpine
- Name En
- Pubchem Id
- 618688
- Smiles Canonical
- C1CC2CN3C(CC=CC3=O)C4C2[N+](C1)(CCC4)[O-]
- Molecular Formula
- C15H22N2O2
- Molecular Weight
- 262.3530
- Inchikey
- QMGGMESMCJCABO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H22N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h1,7,11-13,15H,2-6,8-10H2
- Isomeric Smiles
- C1CC2CN3C(CC=CC3=O)C4C2[N+](C1)(CCC4)[O-]
- Cas Id
- 26904-64-3
- Ob Score
- 0.2730
- Mol Logp
- 1.6603
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4920
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N-Oxysophocarpine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
N-Oxysophocarpine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
N-oxysophocarpine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
N-oxysophocarpine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
N-oxysophocarpine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
苦豆子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
KU DOU ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Foxtail-like Sophora
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3,6,7,7a,8,13,13a,13b,13c-Decahydro-1H,5H,10H-dipyrido[2,1-f:3,2,1-ij][1,6]naphthyridin-10-one 4-oxide #
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3,6,7,7a,8,13,13a,13b,13c-Decahydro-1H,5H,10H-dipyrido[2,1-f:3,2,1-ij][1,6]naphthyridin-10-one 4-oxide #
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3,6,7,7a,8,13,13a,13b,13c-Decahydro-1H,5H,10H-dipyrido[2,1-f:3,2,1-ij][1,6]naphthyridin-10-one 4-oxide #
Role
alias
Source
TCMBank
Preferred
No
Name
26904-64-3
Role
alias
Source
TCMBank
Preferred
No
Name
6-OXO-7,13-DIAZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADEC-4-EN-13-IUM-13-OLATE
Role
alias
Source
TCMBank
Preferred
No
Name
AC-7981
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC-7981
Role
alias
Source
TCMBank
Preferred
No
Name
AC-7981
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1LDHOM
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS015965398
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS015965398
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS015965398
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:201467
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:201467
Role
alias
Source
itcmdb_public
Preferred
No
Name
FT-0689395
Role
alias
Source
TCMBank
Preferred
No
Name
N-Oxysophocarpine
Role
alias
Source
TCMBank
Preferred
No
Name
N1280
Role
alias
Source
TCMBank
Preferred
No
Name
Oxysophocarpine
Role
alias
Source
TCMBank
Preferred
No
Name
QMGGMESMCJCABO-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
QMGGMESMCJCABO-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
QMGGMESMCJCABO-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL15133349
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL15133349
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL15133349
Role
alias
Source
HERB_v2
Preferred
No
Name
Sophocarpine, N-oxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Sophocarpine, N-oxide
Role
alias
Source
TCMBank
Preferred
No
Name
Sophocarpine, N-oxide
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
苦豆子KU DOU ZIFoxtail-like Sophora13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one2,3,6,7,7a,8,13,13a,13b,13c-Decahydro-1H,5H,10H-dipyrido[2,1-f:3,2,1-ij][1,6]naphthyridin-10-one 4-oxide #26904-64-36-OXO-7,13-DIAZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADEC-4-EN-13-IUM-13-OLATEAC-7981AC1LDHOMAKOS015965398CHEBI:201467FT-0689395N1280OxysophocarpineQMGGMESMCJCABO-UHFFFAOYSA-NSCHEMBL15133349Sophocarpine, N-oxide
Cross References
Trusted external identifiers retained for this final record.
Cas
26904-64-3
Herb
HBIN037467
Npass
NPC157039
Tcmid
1646323377
Tcmsp
MOL006588
Sym Map
SMIT08183SMIT17068SMIT18349
Tcm Id
899
Pub Chem
618688
Tcmbank
TCMBANKIN041550
Etcm Ingredient
N-oxysophocarpine
Itcmdb Generated
ITX-INGREDIENT-002059D5BDE1
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H22N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h1,7,11-13,15H,2-6,8-10H2
Mol Wt
262.353
Cas Id
26904-64-3
Mol Log P
1.6603
Version
v1,v2
In Ch Ikey
QMGGMESMCJCABO-UHFFFAOYSA-N
Ob Score
0.2730.2730880.273088241
Suppress
1
Tcm Name
苦豆子
Tcm Name2
KU DOU ZI
Mol2 Path
/TCM_database/2007_3d_all/16474.mol2
Reference
2, 546, 564, 593, 660, 5508
Num Hdonors
0
Tcm Name En
Foxtail-like Sophora
Drug Likeness
0.492
Num Hacceptors
2
Isomeric Smiles
C1CC2CN3C(CC=CC3=O)C4C2[N+](C1)(CCC4)[O-]
Molecule Weight
262.39
Canonical Smiles
C1CC2CN3C(CC=CC3=O)C4C2[N+](C1)(CCC4)[O-]
Herb Alias Names
13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-oneSophocarpine, N-oxideSCHEMBL15133349CHEBI:201467QMGGMESMCJCABO-UHFFFAOYSA-NAKOS015965398AC-79812,3,6,7,7a,8,13,13a,13b,13c-Decahydro-1H,5H,10H-dipyrido[2,1-f:3,2,1-ij][1,6]naphthyridin-10-one 4-oxide #
Molecular Weight
262.170
Molecular Weight
262.35
Molecular Formula
C15H22N2O2
Molecular Formula
C15H22N2O2
Num Rotatable Bonds
0
Link Ingredient Id
8183.0
Fda Maximum Daily Dose (Fdamdd)
0.940
Quantitative Estimate Of Drug Likeness（Qed）
0.492