Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28520
- Core Entity Id
- 34886
- Source Entity Count
- 1
- Preferred Name
- O-methylptelefolonium
- Name En
- Pubchem Id
- 148759
- Smiles Canonical
- CC(=C)C1CC2=C(C3=C(C(=CC(=C3)OC)OC)[N+](=C2O1)C)OC
- Molecular Formula
- C18H22NO4+
- Molecular Weight
- 316.3770
- Inchikey
- GZDGTOJAUNXBGU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H22NO4/c1-10(2)14-9-13-17(22-6)12-7-11(20-4)8-15(21-5)16(12)19(3)18(13)23-14/h7-8,14H,1,9H2,2-6H3/q+1
- Isomeric Smiles
- CC(=C)C1CC2=C(C3=C(C(=CC(=C3)OC)OC)[N+](=C2O1)C)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.5697
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6420
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
O-Methylptelefolonium
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
O-Methylptelefolonium
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
O-methylptelefolonium
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
O-methylptelefolonium
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
o-methylptelefolonium
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-isopropenyl-4,6,8-trimethoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-isopropenyl-4,6,8-trimethoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium
Role
alias
Source
HERB_v2
Preferred
No
Name
2-isopropenyl-4,6,8-trimethoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium
Role
alias
Source
TCMBank
Preferred
No
Name
4,6,8-TRIMETHOXY-9-METHYL-2-(PROP-1-EN-2-YL)-2H,3H-FURO[2,3-B]QUINOLIN-9-IUM
Role
alias
Source
TCMBank
Preferred
No
Name
4,6,8-trimethoxy-9-methyl-2-prop-1-en-2-yl-2,3-dihydrofuro[2,3-b]quinolin-9-ium
Role
alias
Source
HERB_v2
Preferred
No
Name
4,6,8-trimethoxy-9-methyl-2-prop-1-en-2-yl-2,3-dihydrofuro[2,3-b]quinolin-9-ium
Role
alias
Source
TCMBank
Preferred
No
Name
4,6,8-trimethoxy-9-methyl-2-prop-1-en-2-yl-2,3-dihydrofuro[2,3-b]quinolin-9-ium
Role
alias
Source
itcmdb_public
Preferred
No
Name
52768-97-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
52768-97-5
Role
alias
Source
HERB_v2
Preferred
No
Name
52768-97-5
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L3XQK
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L3XQK
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L3XQK
Role
alias
Source
HERB_v2
Preferred
No
Name
C10732
Role
alias
Source
TCMBank
Preferred
No
Name
C10732
Role
alias
Source
HERB_v2
Preferred
No
Name
C10732
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:7687
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:7687
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:7687
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID70276417
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID70276417
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70276417
Role
alias
Source
itcmdb_public
Preferred
No
Name
O-Methylptelefolonium
Role
alias
Source
TCMBank
Preferred
No
Name
Q27107560
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27107560
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-isopropenyl-4,6,8-trimethoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium4,6,8-TRIMETHOXY-9-METHYL-2-(PROP-1-EN-2-YL)-2H,3H-FURO[2,3-B]QUINOLIN-9-IUM4,6,8-trimethoxy-9-methyl-2-prop-1-en-2-yl-2,3-dihydrofuro[2,3-b]quinolin-9-ium52768-97-5AC1L3XQKC10732CHEBI:7687DTXSID70276417Q27107560
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038120
Npass
NPC69934
Tcmid
14697
Sym Map
SMIT16703
Pub Chem
148759
Tcmbank
TCMBANKIN033569
Etcm Ingredient
O-Methylptelefolonium
Itcmdb Generated
ITX-INGREDIENT-156CF4B5F1F9
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H22NO4/c1-10(2)14-9-13-17(22-6)12-7-11(20-4)8-15(21-5)16(12)19(3)18(13)23-14/h7-8,14H,1,9H2,2-6H3/q+1
Mol Wt
316.3770000000001
Smiles
CC(=C)C1CC2=C(C3=C(C(=CC(=C3)OC)OC)[N+](=C2O1)C)OC
Mol Log P
2.5697
Version
v1,v2
In Ch Ikey
GZDGTOJAUNXBGU-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.642
Num Hacceptors
4
Isomeric Smiles
CC(=C)C1CC2=C(C3=C(C(=CC(=C3)OC)OC)[N+](=C2O1)C)OC
Canonical Smiles
CC(=C)C1CC2=C(C3=C(C(=CC(=C3)OC)OC)[N+](=C2O1)C)OC
Herb Alias Names
52768-97-5C107324,6,8-trimethoxy-9-methyl-2-prop-1-en-2-yl-2,3-dihydrofuro[2,3-b]quinolin-9-iumAC1L3XQKCHEBI:7687DTXSID70276417Q271075602-isopropenyl-4,6,8-trimethoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium
Molecular Weight
316.150
Molecular Weight
316.4 g/mol
Molecular Formula
C18H22NO4+
Molecular Formula
C18H22NO4+
Molecular Formula
C18H22NO4+
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.754
Quantitative Estimate Of Drug Likeness（Qed）
0.642