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: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25197
- Core Entity Id
- 31200
- Source Entity Count
- 1
- Preferred Name
- Lycogaricacid a
- Name En
- Pubchem Id
- 11326613
- Smiles Canonical
- C1=CC=C2C(=C1)C(=CN2)C3=C(NC(=C3C4=CNC5=CC=CC=C54)C(=O)O)C(=O)O
- Molecular Formula
- C22H15N3O4
- Molecular Weight
- 385.3790
- Inchikey
- FZDVNXHYGMEEDT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H15N3O4/c26-21(27)19-17(13-9-23-15-7-3-1-5-11(13)15)18(20(25-19)22(28)29)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25H,(H,26,27)(H,28,29)
- Isomeric Smiles
- C1=CC=C2C(=C1)C(=CN2)C3=C(NC(=C3C4=CNC5=CC=CC=C54)C(=O)O)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 4.7077
- Num H Donors
- 5
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3070
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lycogaricacid a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lycogaricacid a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
lycogaricacid a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
150044-68-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
150044-68-1
Role
alias
Source
HERB_v2
Preferred
No
Name
1H-Pyrrole-2,5-dicarboxylic acid, 3,4-di-1H-indol-3-yl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H-Pyrrole-2,5-dicarboxylic acid, 3,4-di-1H-indol-3-yl-
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic Acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic Acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4-di(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL491841
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL491841
Role
alias
Source
itcmdb_public
Preferred
No
Name
LYCOGARIC ACID A
Role
alias
Source
itcmdb_public
Preferred
No
Name
LYCOGARIC ACID A
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL12955978
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL12955978
Role
alias
Source
HERB_v2
Preferred
No
Name
chromopyrrolic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
chromopyrrolic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
lycogalic acid A
Role
alias
Source
HERB_v2
Preferred
No
Name
lycogalic acid A
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
150044-68-11H-Pyrrole-2,5-dicarboxylic acid, 3,4-di-1H-indol-3-yl-3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic Acid3,4-di(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acidCHEMBL491841LYCOGARIC ACID ASCHEMBL12955978chromopyrrolic acidlycogalic acid A
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033946
Npass
NPC82370
Tcmid
13190
Pub Chem
11326613
Tcmbank
TCMBANKIN015900
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H15N3O4/c26-21(27)19-17(13-9-23-15-7-3-1-5-11(13)15)18(20(25-19)22(28)29)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25H,(H,26,27)(H,28,29)
Mol Wt
385.3790000000001
Smiles
C1=CC=C2C(=C1)C(=CN2)C3=C(NC(=C3C4=CNC5=CC=CC=C54)C(=O)O)C(=O)O
Mol Log P
4.707700000000003
In Ch Ikey
FZDVNXHYGMEEDT-UHFFFAOYSA-N
Num Hdonors
5
Drug Likeness
0.307
Num Hacceptors
2
Isomeric Smiles
C1=CC=C2C(=C1)C(=CN2)C3=C(NC(=C3C4=CNC5=CC=CC=C54)C(=O)O)C(=O)O
Canonical Smiles
C1=CC=C2C(=C1)C(=CN2)C3=C(NC(=C3C4=CNC5=CC=CC=C54)C(=O)O)C(=O)O
Herb Alias Names
chromopyrrolic acidlycogalic acid A150044-68-13,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID1H-Pyrrole-2,5-dicarboxylic acid, 3,4-di-1H-indol-3-yl-3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic Acid3,4-di(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acidLYCOGARIC ACID ACHEMBL491841SCHEMBL12955978
Molecular Weight
385.4 g/mol
Molecular Formula
C22H15N3O4
Molecular Formula
C22H15N3O4
Num Rotatable Bonds
4