Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Experiment: 1Herb: 12Ingredient: 1Meta-analysis: 2Reference: 9Target: 12Links: 37
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10612
- Core Entity Id
- 14958
- Source Entity Count
- 1
- Preferred Name
- Oxymatrine
- Name En
- Pubchem Id
- 114850
- Smiles Canonical
- C1([H])([H])C([H])([H])C(=O)N(C([H])([H])[C@]([H])(C([H])([H])C([H])([H])C2([H])[H])[C@]([H])([N@@H]2(O)C([H])([H])C([H])([H])C3([H])[H])[C@]34[H])[C@]4([H])C1([H])[H]
- Molecular Formula
- C15H24N2O2
- Molecular Weight
- 264.3690
- Inchikey
- XVPBINOPNYFXID-LHDUFFHYSA-N
- Inchi
- InChI=1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17?/m0/s1
- Isomeric Smiles
- C1C[C@@H]2[C@H]3CCC[N+]4([C@H]3[C@@H](CCC4)CN2C(=O)C1)[O-]
- Cas Id
- 16837-52-8
- Ob Score
- 0.3320
- Mol Logp
- 1.8843
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4950
- Polar Surface Area
- 41.0000
- Molecular Volume
- 187.0000
- Alogp
- 1.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ammothamnine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Oxymatrine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Ammothamnine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ammothamnine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ammothamnine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ammothamnine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ammothamnine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Oxymatrine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Oxymatrine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Oxymatrine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Oxymatrine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Oxymatrine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
山豆根;鱼腥草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
苦参;苦豆子沙身槐;山豆根;砂生槐;白刺花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
KU SHEN;KU DOU ZI;KUSHEN;SHA SHENG HUAI;SHAN DOU GEN;SHA SHENG HUAI;BAI CI HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Lightyellow Sophora;FoxtaiI-Iike Sophora ;Sandliving Sophora;Tonkin Sophora Root;Sandliving Sophora;Vetchleaf Sophora
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Sophora tonkinensis;Houttuynia cordata
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(7aS,13aR,13bR,13cS)dodecahydro-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
(7aS,13aR,13bR,13cS)dodecahydro-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
16837-52-8
Role
alias
Source
HERB_v2
Preferred
No
Name
16837-52-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
54809-74-4
Role
alias
Source
HERB_v2
Preferred
No
Name
54809-74-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ammothamnine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ammothamnine
Role
alias
Source
HERB_v2
Preferred
No
Name
Ammothamnine
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:2672
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:2672
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00210339
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00210339
Role
alias
Source
itcmdb_public
Preferred
No
Name
Matrine 1beta-oxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Matrine 1beta-oxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Matrine N-oxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Matrine N-oxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Matrine oxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Matrine oxide
Role
alias
Source
HERB_v2
Preferred
No
Name
N-oxide matrine
Role
alias
Source
TCMBank
Preferred
No
Name
Oxymatrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oxymatrine
Role
alias
Source
HERB_v2
Preferred
No
Name
STOCK1N-33797
Role
alias
Source
SymMap_v2
Preferred
No
Name
STOCK1N-33797
Role
alias
Source
TCMBank
Preferred
No
Name
2.清热药(64-64)
Role
level1_name
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
3.清热解毒药(30-30)
Role
level2_name
Source
TCMBank
Preferred
No
Name
heat-clearing and detoxicating medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Ammothamnine山豆根;鱼腥草苦参;苦豆子沙身槐;山豆根;砂生槐;白刺花KU SHEN;KU DOU ZI;KUSHEN;SHA SHENG HUAI;SHAN DOU GEN;SHA SHENG HUAI;BAI CI HUALightyellow Sophora;FoxtaiI-Iike Sophora ;Sandliving Sophora;Tonkin Sophora Root;Sandliving Sophora;Vetchleaf SophoraSophora tonkinensis;Houttuynia cordata(7aS,13aR,13bR,13cS)dodecahydro-1H,5H,10H-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one 4-oxide16837-52-854809-74-4CHEBI:2672MFCD00210339Matrine 1beta-oxideMatrine N-oxideMatrine oxideN-oxide matrineSTOCK1N-337972.清热药(64-64)heat-clearing medicinal3.清热解毒药(30-30)heat-clearing and detoxicating medicinal
Cross References
Trusted external identifiers retained for this final record.
Cas
16837-52-8
Herb
HBIN015878HBIN038488
Tcmid
16440
Tcmsp
MOL003685MOL006634
Sym Map
SMIT00249SMIT05717
Tcm Id
184923552
Pub Chem
11485012470861712931683513167617313770518024864132285670708241386572672
Tcmbank
TCMBANKIN000095TCMBANKIN021828TCMBANKIN054499TCMBANKIN054633
Etcm Ingredient
AmmothamnineOxymatrine
Itcmdb Generated
ITX-INGREDIENT-58CABCACC0FCITX-INGREDIENT-8318561B7B47ITX-INGREDIENT-87159FA536BFITX-INGREDIENT-C7FD2DF8B6D9
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients,Other ingredientsOther ingredients
Alog P
1
In Ch I
InChI=1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17?/m0/s1
Mol Wt
264.369
Cas Id
16837-52-8
Smiles
C1([H])([H])C([H])([H])C(=O)N(C([H])([H])[C@]([H])(C([H])([H])C([H])([H])C2([H])[H])[C@]([H])([N@@H]2(O)C([H])([H])C([H])([H])C3([H])[H])[C@]34[H])[C@]4([H])C1([H])[H]C1([H])([H])[C@]2([H])[C@@]([H])([C@@]([H])([C@]3([H])N(C(=O)C([H])([H])C([H])([H])C3([H])[H])C2([H])[H])C([H])([H])C([H])([H])C4([H])[H])[N@H]4(O)C([H])([H])C1([H])[H]C1CC2C3CCC[N+]4(C3C(CCC4)CN2C(=O)C1)[O-]
37 Flag
37
C Count
15
Mol Log P
1.8843
N Count
2
O Count
2
P Count
0
S Count
0
Version
v1,v2
In Ch Ikey
XVPBINOPNYFXID-LHDUFFHYSA-N
Ob Score
0.3320.3322130.3322132880.3480.3483860.348386245
Suppress
0
Tcm Name
山豆根;鱼腥草苦参;苦豆子沙身槐;山豆根;砂生槐;白刺花
Tcm Name2
KU SHEN;KU DOU ZI;KUSHEN;SHA SHENG HUAI;SHAN DOU GEN;SHA SHENG HUAI;BAI CI HUA
Mol2 Path
/TCM_database/2.清热药(64-64)/3.清热解毒药(30-30)/山豆根/Structures/oxymatrine.mol2/TCM_database/2003_3d_all/6545.mol2
Reference
4, 546, 564, 593, 658, 5501, 5508
Num Hdonors
0
Tcm Name En
Lightyellow Sophora;FoxtaiI-Iike Sophora ;Sandliving Sophora;Tonkin Sophora Root;Sandliving Sophora;Vetchleaf Sophora Sophora tonkinensis;Houttuynia cordata
Level1 Name
2.清热药(64-64)
Level2 Name
3.清热解毒药(30-30)
Num H Donors
2
Drug Likeness
0.495
Num Hacceptors
2
Level1 Name En
heat-clearing medicinal
Level2 Name En
heat-clearing and detoxicating medicinal
Isomeric Smiles
C1C[C@@H]2[C@H]3CCC[N+]4([C@H]3[C@@H](CCC4)CN2C(=O)C1)[O-]
Molecule Weight
264.41
Num H Acceptors
2
Canonical Smiles
C1CC2C3CCC[N+]4(C3C(CCC4)CN2C(=O)C1)[O-]
Herb Alias Names
Oxymatrine16837-52-8Matrine N-oxideMatrine oxideMatrine 1beta-oxideCHEBI:267254809-74-4MFCD00210339(7aS,13aR,13bR,13cS)dodecahydro-1H,5H,10H-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one 4-oxide
Molecular Weight
264.180
Molecular Volume
187
Molecular Weight
264.36266
Molecule Formula
C15H24N2O2
Molecular Formula
C15H24N2O2
Molecular Formula
C15H24N2O2C15H25N2O2
Molecular Formula
C15H24N2O2
Num Rotatable Bonds
0
Num Rotatable Bonds
0
Molecular Polar Surface Area
41
Fda Maximum Daily Dose (Fdamdd)
0.8570.942
Quantitative Estimate Of Drug Likeness（Qed）
0.495