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
- 9683
- Core Entity Id
- 13930
- Source Entity Count
- 1
- Preferred Name
- Aflatoxin g1
- Name En
- Pubchem Id
- 14421
- Smiles Canonical
- COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1
- Molecular Formula
- C17H12O7
- Molecular Weight
- 328.2760
- Inchikey
- XWIYFDMXXLINPU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3
- Isomeric Smiles
- COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1
- Cas Id
- Ob Score
- Mol Logp
- 1.8605
- Num H Donors
- 0
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5830
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Aflatoxin G1
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Aflatoxin g1
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Aflatoxin g1
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
aflatoxin g1
Role
preferred
Source
TCMBank
Preferred
Yes
Name
11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
1165-39-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
1165-39-5
Role
alias
Source
HERB_v2
Preferred
No
Name
1402-68-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
1402-68-2
Role
alias
Source
HERB_v2
Preferred
No
Name
AFLATOXINS
Role
alias
Source
HERB_v2
Preferred
No
Name
AFLATOXINS
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aflatoxin
Role
alias
Source
HERB_v2
Preferred
No
Name
Aflatoxin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aflatoxin G
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aflatoxin G
Role
alias
Source
HERB_v2
Preferred
No
Name
Aflatoxin G1-d3
Role
alias
Source
HERB_v2
Preferred
No
Name
Aflatoxin G1-d3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aflatoxin, crude
Role
alias
Source
HERB_v2
Preferred
No
Name
Aflatoxin, crude
Role
alias
Source
itcmdb_public
Preferred
No
Name
HSDB 3411
Role
alias
Source
HERB_v2
Preferred
No
Name
HSDB 3411
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione1165-39-51402-68-2AFLATOXINSAflatoxinAflatoxin GAflatoxin G1-d3Aflatoxin, crudeHSDB 3411
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014778
Tcmid
673
Pub Chem
1442115939117
Tcmbank
TCMBANKIN046154
Etcm Ingredient
Aflatoxin G1
Itcmdb Generated
ITX-INGREDIENT-4478DCC24036
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3
Mol Wt
328.276
Smiles
COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1
Mol Log P
1.8605
In Ch Ikey
XWIYFDMXXLINPU-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/00673.mol2
Reference
660
Num Hdonors
0
Drug Likeness
0.583
Num Hacceptors
7
Isomeric Smiles
COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1
Canonical Smiles
COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1
Herb Alias Names
Aflatoxin1165-39-51402-68-2AFLATOXINSAflatoxin GAflatoxin, crudeAflatoxin G1-d3HSDB 341111-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione
Molecular Weight
342.070
Molecular Weight
328.27 g/mol
Molecular Formula
C18H14O7
Molecular Formula
C17H12O7
Molecular Formula
C17H12O7
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.947
Quantitative Estimate Of Drug Likeness（Qed）
0.580