Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 4Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39551
- Core Entity Id
- 74606
- Source Entity Count
- 1
- Preferred Name
- 1-hydroxy-canthin-6-one
- Name En
- Pubchem Id
- 86014459
- Smiles Canonical
- C1=CC=C2C(=C1)C3=C4N2C(=O)C=CC4=NC=C3O
- Molecular Formula
- C14H8N2O2
- Molecular Weight
- 236.2300
- Inchikey
- LWYFITNQEPSUDK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H8N2O2/c17-11-7-15-9-5-6-12(18)16-10-4-2-1-3-8(10)13(11)14(9)16/h1-7,17H
- Isomeric Smiles
- C1=CC=C2C(=C1)C3=C4N2C(=O)C=CC4=NC=C3O
- Cas Id
- 80787-59-3
- Ob Score
- 25.1050
- Mol Logp
- 2.1443
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5090
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-Hydroxy-Canthin-6-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-hydroxy-canthin-6-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-hydroxy-canthin-6-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-hydroxy-canthin-6-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-hydroxy-canthin-6-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-Hydroxycanthin-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Hydroxycanthin-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-hydroxy-6h-indolo[3,2,1-de][1,5]naphthyridin-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-hydroxy-6h-indolo[3,2,1-de][1,5]naphthyridin-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-hydroxycanthin-6-one
Role
alias
Source
TCMBank
Preferred
No
Name
8-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
8-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
80787-59-3
Role
alias
Source
HERB_v2
Preferred
No
Name
80787-59-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS032948119
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS032948119
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-49169
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-49169
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-9053
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-9053
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hydroxycanthin-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydroxycanthin-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00094351
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00094351
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Hydroxycanthin-6-one1-hydroxy-6h-indolo[3,2,1-de][1,5]naphthyridin-6-one8-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one80787-59-3AKOS032948119DA-49169FS-9053Hydroxycanthin-6-oneNS00094351
Cross References
Trusted external identifiers retained for this final record.
Cas
80787-59-3
Herb
HBIN002649
Tcmid
9883
Tcmsp
MOL006300
Sym Map
SMIT07943
Tcm Id
9178
Pub Chem
86014459
Tcmbank
TCMBANKIN034121
Etcm Ingredient
1-hydroxy-canthin-6-one
Itcmdb Generated
ITX-INGREDIENT-E30C91702780
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H8N2O2/c17-11-7-15-9-5-6-12(18)16-10-4-2-1-3-8(10)13(11)14(9)16/h1-7,17H
Mol Wt
236.23
Cas Id
80787-59-3
Smiles
C1=CC=C2C(=C1)C3=C4N2C(=O)C=CC4=NC=C3O
Mol Log P
2.1443
Version
v1,v2
In Ch Ikey
LWYFITNQEPSUDK-UHFFFAOYSA-N
Ob Score
25.1049869525.10498725.105
Suppress
0
Num Hdonors
1
Drug Likeness
0.509
Num Hacceptors
4
Isomeric Smiles
C1=CC=C2C(=C1)C3=C4N2C(=O)C=CC4=NC=C3O
Molecule Weight
236.24
Canonical Smiles
C1=CC=C2C(=C1)C3=C4N2C(=O)C=CC4=NC=C3O
Herb Alias Names
1-Hydroxycanthin-6-one80787-59-31-hydroxy-6h-indolo[3,2,1-de][1,5]naphthyridin-6-one8-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one8-hydroxy-1,6-diazatetracyclo(7.6.1.05,16.010,15)hexadeca-3,5(16),6,8,10,12,14-heptaen-2-oneHydroxycanthin-6-oneAKOS032948119FS-9053DA-49169NS00094351
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)
0.924
Quantitative Estimate Of Drug Likeness（Qed）
0.509