Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11319
- Core Entity Id
- 15749
- Source Entity Count
- 1
- Preferred Name
- Arenarine d
- Name En
- Pubchem Id
- 14396466
- Smiles Canonical
- CC(=O)C1=C2C(=C3C=CC(=O)C=C3N2)C=CN1
- Molecular Formula
- C13H10N2O2
- Molecular Weight
- 226.2350
- Inchikey
- GPGDUIMHOHABOW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H10N2O2/c1-7(16)12-13-10(4-5-14-12)9-3-2-8(17)6-11(9)15-13/h2-6,14-15H,1H3
- Isomeric Smiles
- CC(=O)C1=C2C(=C3C=CC(=O)C=C3N2)C=CN1
- Cas Id
- Ob Score
- Mol Logp
- 2.2120
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6250
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Arenarine d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Arenarine d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
arenarine d
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-(7-Hydroxy-9h-pyrido[3,4-b]indol-1-yl)-ethanone
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(7-Hydroxy-9h-pyrido[3,4-b]indol-1-yl)-ethanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-acetyl-2,9-dihydropyrido[3,4-b]indol-7-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-acetyl-2,9-dihydropyrido[3,4-b]indol-7-one
Role
alias
Source
HERB_v2
Preferred
No
Name
123520-96-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
123520-96-7
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040736118
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040736118
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-345375
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-345375
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-(7-Hydroxy-9h-pyrido[3,4-b]indol-1-yl)-ethanone1-acetyl-2,9-dihydropyrido[3,4-b]indol-7-one123520-96-7AKOS040736118DB-345375
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016706
Tcmid
1662
Pub Chem
14396466
Tcmbank
TCMBANKIN042057
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H10N2O2/c1-7(16)12-13-10(4-5-14-12)9-3-2-8(17)6-11(9)15-13/h2-6,14-15H,1H3
Mol Wt
226.235
Mol Log P
2.212
In Ch Ikey
GPGDUIMHOHABOW-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/01662.mol2
Reference
660
Num Hdonors
2
Drug Likeness
0.625
Num Hacceptors
2
Isomeric Smiles
CC(=O)C1=C2C(=C3C=CC(=O)C=C3N2)C=CN1
Canonical Smiles
CC(=O)C1=C2C(=C3C=CC(=O)C=C3N2)C=CN1
Herb Alias Names
123520-96-71-acetyl-2,9-dihydropyrido[3,4-b]indol-7-one1-(7-Hydroxy-9h-pyrido[3,4-b]indol-1-yl)-ethanoneAKOS040736118DB-345375
Molecular Formula
C13H10N2O2
Molecular Formula
C13H10N2O2
Num Rotatable Bonds
1