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: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15308
- Core Entity Id
- 20182
- Source Entity Count
- 1
- Preferred Name
- Cotarnine
- Name En
- Pubchem Id
- 6715
- Smiles Canonical
- CN1CCC2=CC3=C(C(=C2C1O)OC)OCO3
- Molecular Formula
- C12H15NO4
- Molecular Weight
- 237.2550
- Inchikey
- PAPMYQLKLNRZIR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H15NO4/c1-13-4-3-7-5-8-10(17-6-16-8)11(15-2)9(7)12(13)14/h5,12,14H,3-4,6H2,1-2H3
- Isomeric Smiles
- CN1CCC2=CC3=C(C(=C2C1O)OC)OCO3
- Cas Id
- Ob Score
- Mol Logp
- 0.9027
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7860
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cotarnine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cotarnine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cotarnine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cotarnine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
cotarnine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-Methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium hydroxide
Role
alias
Source
TCMBank
Preferred
No
Name
79V56TDI6G
Role
alias
Source
HERB_v2
Preferred
No
Name
79V56TDI6G
Role
alias
Source
itcmdb_public
Preferred
No
Name
82-54-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
82-54-2
Role
alias
Source
HERB_v2
Preferred
No
Name
99781-53-0
Role
alias
Source
HERB_v2
Preferred
No
Name
99781-53-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1LAXDM
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0022879
Role
alias
Source
itcmdb_public
Preferred
No
Name
BRN 0022879
Role
alias
Source
HERB_v2
Preferred
No
Name
COTARNIN
Role
alias
Source
itcmdb_public
Preferred
No
Name
COTARNIN
Role
alias
Source
HERB_v2
Preferred
No
Name
Cotarmine
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 201-429-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 201-429-8
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-79V56TDI6G
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-79V56TDI6G
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4-Methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-ol4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol4-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium hydroxide79V56TDI6G82-54-299781-53-0AC1LAXDMBRN 0022879COTARNINCotarmineEINECS 201-429-8UNII-79V56TDI6G
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021601
Npass
NPC318858
Tcmid
4129
Sym Map
SMIT14773
Pub Chem
6715
Tcmbank
TCMBANKIN023209
Etcm Ingredient
Cotarnine
Itcmdb Generated
ITX-INGREDIENT-4C78A0EDE4D7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C12H15NO4/c1-13-4-3-7-5-8-10(17-6-16-8)11(15-2)9(7)12(13)14/h5,12,14H,3-4,6H2,1-2H3
Mol Wt
237.255
Smiles
CN1CCC2=CC3=C(C(=C2C1O)OC)OCO3
Mol Log P
0.9027000000000001
Version
v1,v2
In Ch Ikey
PAPMYQLKLNRZIR-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.786
Num Hacceptors
5
Isomeric Smiles
CN1CCC2=CC3=C(C(=C2C1O)OC)OCO3
Canonical Smiles
CN1CCC2=CC3=C(C(=C2C1O)OC)OCO3
Herb Alias Names
82-54-2COTARNIN99781-53-04-Methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-olEINECS 201-429-8UNII-79V56TDI6G4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-olBRN 002287979V56TDI6G
Molecular Weight
237.100
Molecular Weight
237.25 g/mol
Molecule Formula
C12H15NO4
Molecular Formula
C12H15NO4
Molecular Formula
C12H15NO4
Molecular Formula
C12H15NO4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.929
Quantitative Estimate Of Drug Likeness（Qed）
0.786