Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 3Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9183
- Core Entity Id
- 13373
- Source Entity Count
- 1
- Preferred Name
- 9-methoxycanthin-6-one
- Name En
- Pubchem Id
- 9881423
- Smiles Canonical
- COC1=CC2=C(C=C1)C3=C4N2C(=O)C=CC4=NC=C3
- Molecular Formula
- C15H10N2O2
- Molecular Weight
- 250.2570
- Inchikey
- OWCRARVHWCCRAG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10N2O2/c1-19-9-2-3-10-11-6-7-16-12-4-5-14(18)17(15(11)12)13(10)8-9/h2-8H,1H3
- Isomeric Smiles
- COC1=CC2=C(C=C1)C3=C4N2C(=O)C=CC4=NC=C3
- Cas Id
- Ob Score
- 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
9-Methoxycanthin-6-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
9-methoxycanthin-6-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
9-methoxycanthin-6-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
9-methoxycanthin-6-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
74991-91-6
Role
alias
Source
HERB_v2
Preferred
No
Name
74991-91-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-Methoxycanthin-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
8-Methoxycanthin-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Methoxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
C15H10N2O2
Role
alias
Source
HERB_v2
Preferred
No
Name
C15H10N2O2
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:66699
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:66699
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90432290
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90432290
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one74991-91-68-Methoxycanthin-6-one9-Methoxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one9-methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-oneC15H10N2O2CHEBI:66699DTXSID90432290
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014130
Npass
NPC174758
Tcmid
13860
Pub Chem
9881423
Tcmbank
TCMBANKIN030236
Etcm Ingredient
9-Methoxycanthin-6-one
Itcmdb Generated
ITX-INGREDIENT-21469E616A1B
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H10N2O2/c1-19-9-2-3-10-11-6-7-16-12-4-5-14(18)17(15(11)12)13(10)8-9/h2-8H,1H3
Mol Wt
250.257
Smiles
COC1=CC2=C(C=C1)C3=C4N2C(=O)C=CC4=NC=C3
Mol Log P
2.4473
In Ch Ikey
OWCRARVHWCCRAG-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.521
Num Hacceptors
4
Isomeric Smiles
COC1=CC2=C(C=C1)C3=C4N2C(=O)C=CC4=NC=C3
Canonical Smiles
COC1=CC2=C(C=C1)C3=C4N2C(=O)C=CC4=NC=C3
Herb Alias Names
74991-91-68-Methoxycanthin-6-one9-methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-oneCHEBI:6669913-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-oneDTXSID9043229013-methoxy-1,6-diazatetracyclo[7.6.1.0(5,16).0(10,15)]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-oneC15H10N2O29-Methoxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one
Molecular Weight
250.070
Molecular Weight
250.25 g/mol
Molecular Formula
C15H10N2O2
Molecular Formula
C15H10N2O2
Molecular Formula
C15H10N2O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.963
Quantitative Estimate Of Drug Likeness（Qed）
0.521