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: 2Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11253
- Core Entity Id
- 15674
- Source Entity Count
- 1
- Preferred Name
- Arcyriaflavin b
- Name En
- Pubchem Id
- 11782794
- Smiles Canonical
- C1=CC=C2C(=C1)C3=C4C(=C5C6=C(C=C(C=C6)O)NC5=C3N2)C(=O)NC4=O
- Molecular Formula
- C20H11N3O3
- Molecular Weight
- 341.3260
- Inchikey
- GNCMMKJNEMBGHM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H11N3O3/c24-8-5-6-10-12(7-8)22-18-14(10)16-15(19(25)23-20(16)26)13-9-3-1-2-4-11(9)21-17(13)18/h1-7,21-22,24H,(H,23,25,26)
- Isomeric Smiles
- C1=CC=C2C(=C1)C3=C4C(=C5C6=C(C=C(C=C6)O)NC5=C3N2)C(=O)NC4=O
- Cas Id
- Ob Score
- Mol Logp
- 3.5448
- Num H Donors
- 4
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3240
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Arcyriaflavin B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Arcyriaflavin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Arcyriaflavin 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
HBIN016628
Npass
NPC297928
Tcmid
1625
Pub Chem
11782794
Tcmbank
TCMBANKIN039254
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H11N3O3/c24-8-5-6-10-12(7-8)22-18-14(10)16-15(19(25)23-20(16)26)13-9-3-1-2-4-11(9)21-17(13)18/h1-7,21-22,24H,(H,23,25,26)
Mol Wt
341.326
Mol Log P
3.544800000000002
In Ch Ikey
GNCMMKJNEMBGHM-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/01625.mol2
Reference
4465
Num Hdonors
4
Tcm Name En
Grey Arcyria*
Drug Likeness
0.324
Num Hacceptors
3
Isomeric Smiles
C1=CC=C2C(=C1)C3=C4C(=C5C6=C(C=C(C=C6)O)NC5=C3N2)C(=O)NC4=O
Canonical Smiles
C1=CC=C2C(=C1)C3=C4C(=C5C6=C(C=C(C=C6)O)NC5=C3N2)C(=O)NC4=O
Molecular Weight
341.3 g/mol
Molecular Formula
C20H11N3O3
Num Rotatable Bonds
0