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: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32433
- Core Entity Id
- 39242
- Source Entity Count
- 1
- Preferred Name
- Sampangine
- Name En
- Pubchem Id
- 387195
- Smiles Canonical
- C1=CC=C2C(=C1)C3=NC=CC4=C3C(=NC=C4)C2=O
- Molecular Formula
- C15H8N2O
- Molecular Weight
- 232.2420
- Inchikey
- BWQKHOMAOVUASZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H8N2O/c18-15-11-4-2-1-3-10(11)13-12-9(5-7-16-13)6-8-17-14(12)15/h1-8H
- Isomeric Smiles
- C1=CC=C2C(=C1)C3=NC=CC4=C3C(=NC=C4)C2=O
- Cas Id
- Ob Score
- Mol Logp
- 2.8412
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4680
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sampangine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sampangine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sampangine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,6-Diaza-benzo(de)anthracen-7-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,6-Diaza-benzo(de)anthracen-7-one
Role
alias
Source
HERB_v2
Preferred
No
Name
116664-93-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
116664-93-8
Role
alias
Source
HERB_v2
Preferred
No
Name
7H-naphtho[1,2,3-ij][2,7]naphthyridin-7-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7H-naphtho[1,2,3-ij][2,7]naphthyridin-7-one
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:67606
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:67606
Role
alias
Source
itcmdb_public
Preferred
No
Name
F1EAG7D138
Role
alias
Source
itcmdb_public
Preferred
No
Name
F1EAG7D138
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC680736
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC680736
Role
alias
Source
HERB_v2
Preferred
No
Name
SAMPANGIN
Role
alias
Source
itcmdb_public
Preferred
No
Name
SAMPANGIN
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-F1EAG7D138
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-F1EAG7D138
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,6-Diaza-benzo(de)anthracen-7-one116664-93-87H-naphtho[1,2,3-ij][2,7]naphthyridin-7-oneCHEBI:67606F1EAG7D138NSC680736SAMPANGINUNII-F1EAG7D138
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042940
Npass
NPC237188
Tcmid
33012
Pub Chem
387195
Tcmbank
TCMBANKIN022492
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H8N2O/c18-15-11-4-2-1-3-10(11)13-12-9(5-7-16-13)6-8-17-14(12)15/h1-8H
Mol Wt
232.242
Smiles
C1=CC=C2C(=C1)C3=NC=CC4=C3C(=NC=C4)C2=O
Mol Log P
2.841200000000001
In Ch Ikey
BWQKHOMAOVUASZ-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.468
Num Hacceptors
3
Isomeric Smiles
C1=CC=C2C(=C1)C3=NC=CC4=C3C(=NC=C4)C2=O
Canonical Smiles
C1=CC=C2C(=C1)C3=NC=CC4=C3C(=NC=C4)C2=O
Herb Alias Names
116664-93-8F1EAG7D138CHEBI:67606UNII-F1EAG7D1381,6-Diaza-benzo(de)anthracen-7-one1,6-Diaza-benzo[de]anthracen-7-oneSAMPANGINNSC6807367H-naphtho[1,2,3-ij][2,7]naphthyridin-7-one
Molecular Weight
232.24 g/mol
Molecular Formula
C15H8N2O
Molecular Formula
C15H8N2O
Num Rotatable Bonds
0