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
Herb: 3Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28824
- Core Entity Id
- 35225
- Source Entity Count
- 1
- Preferred Name
- Oxyhydrastinine
- Name En
- Pubchem Id
- 160522
- Smiles Canonical
- CN1CCC2=CC3=C(C=C2C1=O)OCO3
- Molecular Formula
- C11H11NO3
- Molecular Weight
- 205.2130
- Inchikey
- WIUVXEAALLSOQN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H11NO3/c1-12-3-2-7-4-9-10(15-6-14-9)5-8(7)11(12)13/h4-5H,2-3,6H2,1H3
- Isomeric Smiles
- CN1CCC2=CC3=C(C=C2C1=O)OCO3
- Cas Id
- Ob Score
- Mol Logp
- 1.0434
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Oxyhydrastinine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Oxyhydrastinine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Oxyhydrastinine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Oxyhydrastinine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
蓟罂粟
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JI YING SU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Mexican Pricklepoppy
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
552-29-4
Role
alias
Source
HERB_v2
Preferred
No
Name
552-29-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50286633
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50286633
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4168934
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4168934
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID80203693
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID80203693
Role
alias
Source
HERB_v2
Preferred
No
Name
Oxohydrastinine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oxohydrastinine
Role
alias
Source
HERB_v2
Preferred
No
Name
Oxyhydrastinin
Role
alias
Source
HERB_v2
Preferred
No
Name
Oxyhydrastinin
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL3864739
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL3864739
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
蓟罂粟JI YING SUMexican Pricklepoppy552-29-46-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-oneBDBM50286633CHEMBL4168934DTXSID80203693OxohydrastinineOxyhydrastininSCHEMBL3864739
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038483
Npass
NPC300365
Tcmid
16435
Pub Chem
160522
Tcmbank
TCMBANKIN042890
Etcm Ingredient
Oxyhydrastinine
Itcmdb Generated
ITX-INGREDIENT-1A4D82267C9C
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H11NO3/c1-12-3-2-7-4-9-10(15-6-14-9)5-8(7)11(12)13/h4-5H,2-3,6H2,1H3
Mol Wt
205.2129999999999
Mol Log P
1.0434
In Ch Ikey
WIUVXEAALLSOQN-UHFFFAOYSA-N
Tcm Name
蓟罂粟
Tcm Name2
JI YING SU
Mol2 Path
/TCM_database/2007_3d_all/16446.mol2
Reference
1521, 2909,37
Num Hdonors
0
Tcm Name En
Mexican Pricklepoppy
Drug Likeness
0.635
Num Hacceptors
3
Isomeric Smiles
CN1CCC2=CC3=C(C=C2C1=O)OCO3
Canonical Smiles
CN1CCC2=CC3=C(C=C2C1=O)OCO3
Herb Alias Names
552-29-4Oxohydrastinine6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-oneCHEMBL4168934OxyhydrastininSCHEMBL3864739DTXSID802036936-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-oneBDBM50286633
Molecular Weight
205.070
Molecular Weight
205.21 g/mol
Molecular Formula
C11H11NO3
Molecular Formula
C11H11NO3
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.351
Quantitative Estimate Of Drug Likeness（Qed）
0.635