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: 2Ingredient: 1Target: 11Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39597
- Core Entity Id
- 75043
- Source Entity Count
- 1
- Preferred Name
- 1-methoxycanthinone
- Name En
- Pubchem Id
- 483522
- Smiles Canonical
- COC1=CN=C2C=CC(=O)N3C2=C1C4=CC=CC=C43
- Molecular Formula
- C15H10N2O2
- Molecular Weight
- 250.2570
- Inchikey
- LEPXKGXTXIACRO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10N2O2/c1-19-12-8-16-10-6-7-13(18)17-11-5-3-2-4-9(11)14(12)15(10)17/h2-8H,1H3
- Isomeric Smiles
- COC1=CN=C2C=CC(=O)N3C2=C1C4=CC=CC=C43
- Cas Id
- 60755-86-4
- Ob Score
- 20.2689
- Mol Logp
- 2.4473
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5210
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-Methoxycanthinone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-Methoxycanthinone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-methoxycanthinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-methoxycanthinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-Methoxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Methoxy-indolo[3,2,1-de][1,5]naphthyridin-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Methoxy-indolo[3,2,1-de][1,5]naphthyridin-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Methoxycanthin-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Methoxycanthin-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
60755-86-4
Role
alias
Source
HERB_v2
Preferred
No
Name
60755-86-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 1-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 1-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:66700
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:66700
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL507610
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL507610
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00209576
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00209576
Role
alias
Source
itcmdb_public
Preferred
No
Name
AIDS104956
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Methoxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one1-Methoxy-indolo[3,2,1-de][1,5]naphthyridin-6-one1-Methoxycanthin-6-one1-methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one60755-86-46H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 1-methoxy-CHEBI:66700CHEMBL507610DTXSID00209576AIDS104956
Cross References
Trusted external identifiers retained for this final record.
Cas
60755-86-4
Herb
HBIN002711HBIN002709
Npass
NPC287208
Tcmid
13858
Tcmsp
MOL006301
Sym Map
SMIT07944
Tcm Id
9173
Pub Chem
483522
Tcmbank
TCMBANKIN061900
Etcm Ingredient
1-Methoxycanthinone
Itcmdb Generated
ITX-INGREDIENT-8E10B7A47ACB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H10N2O2/c1-19-12-8-16-10-6-7-13(18)17-11-5-3-2-4-9(11)14(12)15(10)17/h2-8H,1H3
Mol Wt
250.257
Cas Id
60755-86-4
Smiles
COC1=CN=C2C=CC(=O)N3C2=C1C4=CC=CC=C43
Mol Log P
2.4473
Version
v1,v2
In Ch Ikey
LEPXKGXTXIACRO-UHFFFAOYSA-N
Ob Score
20.268891620.269
Suppress
0
Num Hdonors
0
Drug Likeness
0.521
Num Hacceptors
4
Isomeric Smiles
COC1=CN=C2C=CC(=O)N3C2=C1C4=CC=CC=C43
Molecule Weight
250.27
Canonical Smiles
COC1=CN=C2C=CC(=O)N3C2=C1C4=CC=CC=C43
Herb Alias Names
60755-86-41-Methoxycanthin-6-one6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 1-methoxy-CHEBI:667001-Methoxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one1-methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one1-Methoxy-indolo[3,2,1-de][1,5]naphthyridin-6-oneCHEMBL507610DTXSID00209576
Molecular Weight
250.070
Molecular Weight
250.25
Molecular Formula
C15H10N2O2
Molecular Formula
C15H10N2O2
Molecular Formula
C15H10N2O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.933
Quantitative Estimate Of Drug Likeness（Qed）
0.521