ITCMDBv1
IngredientID 12813

Bisindolylpyrrole cpb-53-594-6

C20H13N3O2

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Relationship Network

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Herb: 3Ingredient: 1Target: 12Links: 15
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
12813
Core Entity Id
17412
Source Entity Count
1
Preferred Name
Bisindolylpyrrole cpb-53-594-6
Name En
Pubchem Id
2399
Smiles Canonical
C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54
Molecular Formula
C20H13N3O2
Molecular Weight
327.3430
Inchikey
DQYBRTASHMYDJG-UHFFFAOYSA-N
Inchi
InChI=1S/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25)
Isomeric Smiles
C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54
Cas Id
Ob Score
Mol Logp
3.2164
Num H Donors
3
Num H Acceptors
2
Num Rotatable Bonds
2
Drug Likeness
0.4940
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Bisindolylpyrrole CPB-53-594-6
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Bisindolylpyrrole cpb-53-594-6
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Bisindolylpyrrole cpb-53-594-6
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
暗红团网菌
Role
TCM_name
Source
TCMBank
Preferred
No
Name
AN HONG TUAN WANG JUN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Carnival Candy Slime
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
119139-23-0
Role
alias
Source
HERB_v2
Preferred
No
Name
119139-23-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H-Pyrrole-2,5-dione, 3,4-di-1H-indol-3-yl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H-Pyrrole-2,5-dione, 3,4-di-1H-indol-3-yl-
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4-Bis(3-indolyl)maleimide
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4-Bis(3-indolyl)maleimide
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4-Di-1H-indol-3-yl-1H-pyrrole-2,5-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4-di(1H-indol-3-yl)-1H-pyrrole-2,5-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
Arcyriarubin A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Arcyriarubin A
Role
alias
Source
HERB_v2
Preferred
No
Name
Bisindolylmaleimide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bisindolylmaleimide
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00236432
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00236432
Role
alias
Source
HERB_v2
Preferred
No
Name
bisindolylmaleimide iv
Role
alias
Source
HERB_v2
Preferred
No
Name
bisindolylmaleimide iv
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

暗红团网菌AN HONG TUAN WANG JUNCarnival Candy Slime119139-23-01H-Pyrrole-2,5-dione, 3,4-di-1H-indol-3-yl-3,4-Bis(3-indolyl)maleimide3,4-Di-1H-indol-3-yl-1H-pyrrole-2,5-dione3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione3,4-di(1H-indol-3-yl)-1H-pyrrole-2,5-dioneArcyriarubin ABisindolylmaleimideMFCD00236432bisindolylmaleimide iv

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN018627
Npass
NPC131887
Tcmid
2476
Pub Chem
2399
Tcmbank
TCMBANKIN038938

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25)
Mol Wt
327.343
Mol Log P
3.2164
In Ch Ikey
DQYBRTASHMYDJG-UHFFFAOYSA-N
Tcm Name
暗红团网菌
Tcm Name2
AN HONG TUAN WANG JUN
Mol2 Path
/TCM_database/2007_3d_all/02476.mol2
Reference
4465
Num Hdonors
3
Tcm Name En
Carnival Candy Slime
Drug Likeness
0.494
Num Hacceptors
2
Isomeric Smiles
C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54
Canonical Smiles
C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54
Herb Alias Names
bisindolylmaleimide iv119139-23-03,4-di(1H-indol-3-yl)-1H-pyrrole-2,5-dioneArcyriarubin ABisindolylmaleimide3,4-Bis(3-indolyl)maleimide3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione3,4-Di-1H-indol-3-yl-1H-pyrrole-2,5-dione1H-Pyrrole-2,5-dione, 3,4-di-1H-indol-3-yl-MFCD00236432
Molecular Formula
C20H13N3O2
Num Rotatable Bonds
2