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
- 12811
- Core Entity Id
- 17410
- Source Entity Count
- 1
- Preferred Name
- Bisindolylpyrrole cpb-53-594-4
- Name En
- Pubchem Id
- 11165918
- Smiles Canonical
- COC(=O)C1=C(C(=C(N1)C(=O)O)C2=CNC3=CC=CC=C32)C4=CNC5=C4C=C(C=C5)O
- Molecular Formula
- C23H17N3O5
- Molecular Weight
- 415.4050
- Inchikey
- JENKNOSPMIZSJR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C23H17N3O5/c1-31-23(30)21-19(15-10-25-17-7-6-11(27)8-13(15)17)18(20(26-21)22(28)29)14-9-24-16-5-3-2-4-12(14)16/h2-10,24-27H,1H3,(H,28,29)
- Isomeric Smiles
- COC(=O)C1=C(C(=C(N1)C(=O)O)C2=CNC3=CC=CC=C32)C4=CNC5=C4C=C(C=C5)O
- Cas Id
- Ob Score
- Mol Logp
- 4.5017
- Num H Donors
- 5
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.2760
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Bisindolylpyrrole CPB-53-594-4
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Bisindolylpyrrole cpb-53-594-4
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Bisindolylpyrrole cpb-53-594-4
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
粉瘤菌
Role
TCM_name
Source
TCMBank
Preferred
No
Name
FEN LIU JUN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Wolfs-milk Slime
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
粉瘤菌FEN LIU JUNWolfs-milk Slime
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018625
Tcmid
2474
Pub Chem
11165918
Tcmbank
TCMBANKIN041521
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H17N3O5/c1-31-23(30)21-19(15-10-25-17-7-6-11(27)8-13(15)17)18(20(26-21)22(28)29)14-9-24-16-5-3-2-4-12(14)16/h2-10,24-27H,1H3,(H,28,29)
Mol Wt
415.4050000000001
Mol Log P
4.501700000000003
In Ch Ikey
JENKNOSPMIZSJR-UHFFFAOYSA-N
Tcm Name
粉瘤菌
Tcm Name2
FEN LIU JUN
Mol2 Path
/TCM_database/2007_3d_all/02474.mol2
Reference
4465
Num Hdonors
5
Tcm Name En
Wolfs-milk Slime
Drug Likeness
0.276
Num Hacceptors
4
Isomeric Smiles
COC(=O)C1=C(C(=C(N1)C(=O)O)C2=CNC3=CC=CC=C32)C4=CNC5=C4C=C(C=C5)O
Canonical Smiles
COC(=O)C1=C(C(=C(N1)C(=O)O)C2=CNC3=CC=CC=C32)C4=CNC5=C4C=C(C=C5)O
Molecular Formula
C23H17N3O5
Num Rotatable Bonds
4