Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7318
- Core Entity Id
- 11316
- Source Entity Count
- 1
- Preferred Name
- 66762-19-4
- Name En
- Pubchem Id
- 6455362
- Smiles Canonical
- C1=CC2=C(C(=C1)O)N3C(=O)C=CC4=NC=CC2=C43
- Molecular Formula
- C14H8N2O2
- Molecular Weight
- 236.2300
- Inchikey
- WBFKHEDOTNJGJF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H8N2O2/c17-11-3-1-2-8-9-6-7-15-10-4-5-12(18)16(13(9)10)14(8)11/h1-7,17H
- Isomeric Smiles
- C1=CC2=C(C(=C1)O)N3C(=O)C=CC4=NC=CC2=C43
- Cas Id
- 66762-19-4
- Ob Score
- 24.9167
- Mol Logp
- 2.1443
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5090
- Polar Surface Area
- 55.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
66762-19-4
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
66762-19-4
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
66762-19-4
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
66762-19-4
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
66762-19-4
Role
preferred
Source
TCMBank
Preferred
Yes
Name
66762-19-4
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
8-hydroxycanthin-6-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
8-hydroxycanthin-6-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
8-hydroxycanthin-6-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
14-hydroxy-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
14-hydroxy-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
6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 8-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 8-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 8-hydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
8-Hydroxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-Hydroxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one
Role
alias
Source
TCMBank
Preferred
No
Name
8-Hydroxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4077426
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4077426
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID10139390
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID10139390
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30216899
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30216899
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
8-hydroxycanthin-6-one14-hydroxy-1,6-diazatetracyclo(7.6.1.05,16.010,15)hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 8-hydroxy-8-Hydroxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-oneCHEMBL4077426DTXCID10139390DTXSID30216899
Cross References
Trusted external identifiers retained for this final record.
Cas
66762-19-4
Herb
HBIN012032HBIN013775
Tcmsp
MOL006308
Sym Map
SMIT07951
Tcm Id
7349
Pub Chem
6455362
Tcmbank
TCMBANKIN016096TCMBANKIN031054
Etcm Ingredient
66762-19-4
Itcmdb Generated
ITX-INGREDIENT-7E167E809CA0
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H8N2O2/c17-11-3-1-2-8-9-6-7-15-10-4-5-12(18)16(13(9)10)14(8)11/h1-7,17H
Mol Wt
236.23
Cas Id
66762-19-4
Smiles
C1=CC2=C(C(=C1)O)N3C(=O)C=CC4=NC=CC2=C43
Mol Log P
2.144299999999999
Version
v1,v2
In Ch Ikey
WBFKHEDOTNJGJF-UHFFFAOYSA-N
Ob Score
24.9166699824.9166724.917
Suppress
0
Num Hdonors
1
Drug Likeness
0.509
Num Hacceptors
4
Isomeric Smiles
C1=CC2=C(C(=C1)O)N3C(=O)C=CC4=NC=CC2=C43
Molecule Weight
236.24
Canonical Smiles
C1=CC2=C(C(=C1)O)N3C(=O)C=CC4=NC=CC2=C43
Herb Alias Names
6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 8-hydroxy-8-Hydroxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-oneDTXSID3021689914-hydroxy-1,6-diazatetracyclo(7.6.1.05,16.010,15)hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one14-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-oneCHEMBL4077426DTXCID10139390
Molecular Weight
236.060
Molecular Weight
236.23
Molecular Formula
C14H8N2O2
Molecular Formula
C14H8N2O2
Molecular Formula
C14H8N2O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.947
Quantitative Estimate Of Drug Likeness（Qed）
0.509