Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Experiment: 4Herb: 12Ingredient: 1Meta-analysis: 8Target: 12Links: 36
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11574
- Core Entity Id
- 16032
- Source Entity Count
- 1
- Preferred Name
- As
- Name En
- Pubchem Id
- 105031
- Smiles Canonical
- [As]
- Molecular Formula
- As
- Molecular Weight
- 384.4250
- Inchikey
- FIHJKUPKCHIPAT-AHIGJZGOSA-N
- Inchi
- InChI=1S/As
- Isomeric Smiles
- C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)O)C
- Cas Id
- 88495-63-0
- Ob Score
- 15.8910
- Mol Logp
- -0.3808
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3440
- Polar Surface Area
- 101.0000
- Molecular Volume
- 253.0000
- Alogp
- 2.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Arsenic
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Artesunate
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
As
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Arsenic
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Arsenic
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Arsenic
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Artesunate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Artesunate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Artesunate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Artesunate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
As
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
As
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
As
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
arsenic
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
arsenicum;arsenic;as
Role
preferred
Source
TCMBank
Preferred
Yes
Name
artesunate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
青蒿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Artemisia annua
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
7440-38-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
7440-38-2
Role
alias
Source
HERB_v2
Preferred
No
Name
88495-63-0
Role
alias
Source
HERB_v2
Preferred
No
Name
88495-63-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
ARSENIC METAL
Role
alias
Source
itcmdb_public
Preferred
No
Name
ARSENIC METAL
Role
alias
Source
HERB_v2
Preferred
No
Name
Agent SA
Role
alias
Source
itcmdb_public
Preferred
No
Name
Agent SA
Role
alias
Source
HERB_v2
Preferred
No
Name
Arinate
Role
alias
Source
HERB_v2
Preferred
No
Name
Arinate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Arsen
Role
alias
Source
itcmdb_public
Preferred
No
Name
Arsen
Role
alias
Source
HERB_v2
Preferred
No
Name
Arsenic
Role
alias
Source
itcmdb_public
Preferred
No
Name
Arsenic
Role
alias
Source
HERB_v2
Preferred
No
Name
Arsenic hydride (AsH3)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Arsenic hydride (AsH3)
Role
alias
Source
HERB_v2
Preferred
No
Name
Arsenicals
Role
alias
Source
itcmdb_public
Preferred
No
Name
Arsenicals
Role
alias
Source
HERB_v2
Preferred
No
Name
Arsenowodor
Role
alias
Source
HERB_v2
Preferred
No
Name
Arsenowodor
Role
alias
Source
itcmdb_public
Preferred
No
Name
Arsumax
Role
alias
Source
HERB_v2
Preferred
No
Name
Arsumax
Role
alias
Source
itcmdb_public
Preferred
No
Name
Artesunatum
Role
alias
Source
HERB_v2
Preferred
No
Name
Artesunatum
Role
alias
Source
itcmdb_public
Preferred
No
Name
Artesunic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Artesunic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
As
Role
alias
Source
itcmdb_public
Preferred
No
Name
As
Role
alias
Source
HERB_v2
Preferred
No
Name
Dihydroqinghasu hemsuccinate
Role
alias
Source
HERB_v2
Preferred
No
Name
Dihydroqinghasu hemsuccinate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Plasmotrin
Role
alias
Source
HERB_v2
Preferred
No
Name
Plasmotrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Qinghaozhi
Role
alias
Source
HERB_v2
Preferred
No
Name
Qinghaozhi
Role
alias
Source
itcmdb_public
Preferred
No
Name
Saphnate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Saphnate
Role
alias
Source
HERB_v2
Preferred
No
Name
V1I29R0RJQ
Role
alias
Source
HERB_v2
Preferred
No
Name
V1I29R0RJQ
Role
alias
Source
itcmdb_public
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
5.清虚热药(5-5)
Role
level2_name
Source
TCMBank
Preferred
No
Name
deficiency heatclearing medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
ArsenicArtesunatearsenicum;arsenic;as青蒿Artemisia annua7440-38-288495-63-0ARSENIC METALAgent SAArinateArsenArsenic hydride (AsH3)ArsenicalsArsenowodorArsumaxArtesunatumArtesunic acidDihydroqinghasu hemsuccinatePlasmotrinQinghaozhiSaphnateV1I29R0RJQ2.清热药(64-64)heat-clearing medicinal5.清虚热药(5-5)deficiency heatclearing medicinal
Cross References
Trusted external identifiers retained for this final record.
Cas
88495-63-0
Herb
HBIN016905HBIN016908HBIN016977HBIN017018
Tcmid
245752472233274
Tcmsp
MOL007434
Sym Map
SMIT08872SMIT22420SMIT22431
Pub Chem
1050311269634781290099111293175781461600781562521639456349769200534864265359596546409860196289656646917864917461799821433
Tcmbank
TCMBANKIN044781TCMBANKIN057899
Drug Bank
DB09274
Etcm Ingredient
Artesunatearsenic
Itcmdb Generated
ITX-INGREDIENT-21C834B25D5BITX-INGREDIENT-3D3A1C47E353ITX-INGREDIENT-919391E452B1ITX-INGREDIENT-C53FF33AD4C2
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients,Other ingredientsOther ingredients
Alog P
2
In Ch I
InChI=1S/AsInChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1
Mol Wt
384.425000000000174.922
Smiles
[As][C@@]1([H])(O[C@](C([H])([H])[H])(OO2)C([H])([H])C3([H])[H])[C@@]2([C@@]3([H])[C@]([H])(C([H])([H])[H])C([H])([H])C4([H])[H])[C@]4([H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(OC(C([H])([H])C([H])([H])C(O
[H])=O)=O)O1
37 Flag
37
C Count
19
Mol Log P
-0.38082.6024
N Count
0
O Count
8
P Count
0
S Count
0
Version
v1,v2v2
In Ch Ikey
FIHJKUPKCHIPAT-AHIGJZGOSA-NRQNWIZPPADIBDY-UHFFFAOYSA-N
Ob Score
15.89095515.8909550815.891
Suppress
0
Tcm Name
青蒿
Mol2 Path
/TCM_database/2.清热药(64-64)/5.清虚热药(5-5)/青蒿/structure/artesunate.mol2
Num Hdonors
01
Tcm Name En
Artemisia annua
Level1 Name
2.清热药(64-64)
Level2 Name
5.清虚热药(5-5)
Num H Donors
1
Drug Likeness
0.3440.583
Num Hacceptors
07
Level1 Name En
heat-clearing medicinal
Level2 Name En
deficiency heatclearing medicinal
Isomeric Smiles
C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)O)C[As]
Molecule Weight
384.47
Num H Acceptors
8
Canonical Smiles
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C[As]
Herb Alias Names
7440-38-2AsAgent SAArsenowodorArsenArsenic hydride (AsH3)ARSENIC METALV1I29R0RJQArsenicals
Molecular Weight
384.18077.950
Molecular Volume
253
Molecular Weight
38474.92159 g/mol
Molecular Formula
C19H28O8H3As
Molecular Formula
AsC19H28O8
Molecular Formula
AsC19H28O8
Num Rotatable Bonds
04
Num Rotatable Bonds
5
Molecular Polar Surface Area
101
Fda Maximum Daily Dose (Fdamdd)
0.0000.531
Quantitative Estimate Of Drug Likeness（Qed）
0.0000.583