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
- 14515
- Core Entity Id
- 19299
- Source Entity Count
- 1
- Preferred Name
- Cinereapyrrole b
- Name En
- Pubchem Id
- 11280180
- Smiles Canonical
- COC(=O)C1=C(C(=CN1)C2=CNC3=CC=CC=C32)C4=CNC5=C4C=C(C=C5)O
- Molecular Formula
- C22H17N3O3
- Molecular Weight
- 371.3960
- Inchikey
- UTLACMOGKIDNLW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H17N3O3/c1-28-22(27)21-20(16-10-24-19-7-6-12(26)8-14(16)19)17(11-25-21)15-9-23-18-5-3-2-4-13(15)18/h2-11,23-26H,1H3
- Isomeric Smiles
- COC(=O)C1=C(C(=CN1)C2=CNC3=CC=CC=C32)C4=CNC5=C4C=C(C=C5)O
- Cas Id
- Ob Score
- Mol Logp
- 4.8035
- Num H Donors
- 4
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.3430
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cinereapyrrole B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cinereapyrrole b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cinereapyrrole b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
灰烬色团网菌
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUI JIN SE TUAN WANG JUN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Grey Arcyria*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
灰烬色团网菌HUI JIN SE TUAN WANG JUNGrey Arcyria*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020646
Tcmid
3691
Pub Chem
11280180
Tcmbank
TCMBANKIN046244
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H17N3O3/c1-28-22(27)21-20(16-10-24-19-7-6-12(26)8-14(16)19)17(11-25-21)15-9-23-18-5-3-2-4-13(15)18/h2-11,23-26H,1H3
Mol Wt
371.3960000000001
Mol Log P
4.803500000000003
In Ch Ikey
UTLACMOGKIDNLW-UHFFFAOYSA-N
Tcm Name
灰烬色团网菌
Tcm Name2
HUI JIN SE TUAN WANG JUN
Mol2 Path
/TCM_database/2007_3d_all/03691.mol2
Reference
4465
Num Hdonors
4
Tcm Name En
Grey Arcyria*
Drug Likeness
0.343
Num Hacceptors
3
Isomeric Smiles
COC(=O)C1=C(C(=CN1)C2=CNC3=CC=CC=C32)C4=CNC5=C4C=C(C=C5)O
Canonical Smiles
COC(=O)C1=C(C(=CN1)C2=CNC3=CC=CC=C32)C4=CNC5=C4C=C(C=C5)O
Molecular Weight
371.4 g/mol
Molecular Formula
C22H17N3O3
Num Rotatable Bonds
3