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: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33871
- Core Entity Id
- 40847
- Source Entity Count
- 1
- Preferred Name
- Staurosporinone
- Name En
- Pubchem Id
- 3815
- Smiles Canonical
- C1C2=C3C4=CC=CC=C4NC3=C5C(=C2C(=O)N1)C6=CC=CC=C6N5
- Molecular Formula
- C20H13N3O
- Molecular Weight
- 311.3440
- Inchikey
- MEXUTNIFSHFQRG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)
- Isomeric Smiles
- C1C2=C3C4=CC=CC=C4NC3=C5C(=C2C(=O)N1)C6=CC=CC=C6N5
- Cas Id
- Ob Score
- Mol Logp
- 4.1990
- Num H Donors
- 3
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3940
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Staurosporinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Staurosporinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
staurosporinone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
85753-43-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
85753-43-1
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL16958
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL16958
Role
alias
Source
HERB_v2
Preferred
No
Name
HAJ5XS5HPF
Role
alias
Source
itcmdb_public
Preferred
No
Name
HAJ5XS5HPF
Role
alias
Source
HERB_v2
Preferred
No
Name
K-252c
Role
alias
Source
HERB_v2
Preferred
No
Name
K-252c
Role
alias
Source
itcmdb_public
Preferred
No
Name
STAUROSPORINE AGLYCON
Role
alias
Source
HERB_v2
Preferred
No
Name
STAUROSPORINE AGLYCON
Role
alias
Source
itcmdb_public
Preferred
No
Name
Staurosporine aglycone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Staurosporine aglycone
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one85753-43-1CHEMBL16958HAJ5XS5HPFK-252cSTAUROSPORINE AGLYCONStaurosporine aglycone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044725
Npass
NPC195314
Tcmid
20262
Pub Chem
3815
Tcmbank
TCMBANKIN039335
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)
Mol Wt
311.344
Smiles
C1C2=C3C4=CC=CC=C4NC3=C5C(=C2C(=O)N1)C6=CC=CC=C6N5
Mol Log P
4.199000000000002
In Ch Ikey
MEXUTNIFSHFQRG-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/20278.mol2
Reference
4465
Num Hdonors
3
Drug Likeness
0.394
Num Hacceptors
1
Isomeric Smiles
C1C2=C3C4=CC=CC=C4NC3=C5C(=C2C(=O)N1)C6=CC=CC=C6N5
Canonical Smiles
C1C2=C3C4=CC=CC=C4NC3=C5C(=C2C(=O)N1)C6=CC=CC=C6N5
Herb Alias Names
K-252c85753-43-1Staurosporine aglycone6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-oneK252CHAJ5XS5HPFSTAUROSPORINE AGLYCONCHEMBL169586,7,12,13-Tetrahydro-5H-indolo-[2,3-a]pyrrolo[3,4-c]carbazol-5-one
Molecular Weight
311.3 g/mol
Molecular Formula
C20H13N3O
Molecular Formula
C20H13N3O
Num Rotatable Bonds
0