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
- 9727
- Core Entity Id
- 13980
- Source Entity Count
- 1
- Preferred Name
- Aflatoxin g2
- Name En
- Pubchem Id
- 2724362
- Smiles Canonical
- COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5CCOC5OC4=C1
- Molecular Formula
- C17H14O7
- Molecular Weight
- 330.2920
- Inchikey
- WPCVRWVBBXIRMA-WNWIJWBNSA-N
- Inchi
- InChI=1S/C17H14O7/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/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1
- Isomeric Smiles
- COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1
- Cas Id
- Ob Score
- Mol Logp
- 1.7369
- Num H Donors
- 0
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5810
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Aflatoxin G2
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Aflatoxin g2
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Aflatoxin g2
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
aflatoxin g2
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2MS0D8WA29
Role
alias
Source
HERB_v2
Preferred
No
Name
2MS0D8WA29
Role
alias
Source
itcmdb_public
Preferred
No
Name
7241-98-7
Role
alias
Source
HERB_v2
Preferred
No
Name
7241-98-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
AFLATOXIN G2 [HSDB]
Role
alias
Source
itcmdb_public
Preferred
No
Name
AFLATOXIN G2 [HSDB]
Role
alias
Source
HERB_v2
Preferred
No
Name
AFLATOXIN G2 [MI]
Role
alias
Source
HERB_v2
Preferred
No
Name
AFLATOXIN G2 [MI]
Role
alias
Source
itcmdb_public
Preferred
No
Name
CCRIS 4936
Role
alias
Source
itcmdb_public
Preferred
No
Name
CCRIS 4936
Role
alias
Source
HERB_v2
Preferred
No
Name
Dihydroaflatoxin G1
Role
alias
Source
HERB_v2
Preferred
No
Name
Dihydroaflatoxin G1
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 230-643-4
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 230-643-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
HSDB 3456
Role
alias
Source
HERB_v2
Preferred
No
Name
HSDB 3456
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-2MS0D8WA29
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-2MS0D8WA29
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2MS0D8WA297241-98-7AFLATOXIN G2 [HSDB]AFLATOXIN G2 [MI]CCRIS 4936Dihydroaflatoxin G1EINECS 230-643-4HSDB 3456UNII-2MS0D8WA29
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014779
Npass
NPC184520
Tcmid
674
Pub Chem
2724362
Tcmbank
TCMBANKIN050004
Etcm Ingredient
Aflatoxin G2
Itcmdb Generated
ITX-INGREDIENT-0D88BE9B9ECA
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H14O7/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/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1
Mol Wt
330.292
Smiles
COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5CCOC5OC4=C1
Mol Log P
1.7369
In Ch Ikey
WPCVRWVBBXIRMA-WNWIJWBNSA-N
Mol2 Path
/TCM_database/2007_3d_all/00674.mol2
Reference
660
Num Hdonors
0
Drug Likeness
0.581
Num Hacceptors
7
Isomeric Smiles
COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1
Canonical Smiles
COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5CCOC5OC4=C1
Herb Alias Names
7241-98-7Dihydroaflatoxin G1UNII-2MS0D8WA292MS0D8WA29CCRIS 4936HSDB 3456EINECS 230-643-4AFLATOXIN G2 [MI]AFLATOXIN G2 [HSDB]
Molecular Weight
330.070
Molecular Weight
330.29 g/mol
Molecular Formula
C17H14O7
Molecular Formula
C17H14O7
Molecular Formula
C17H14O7
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.201
Quantitative Estimate Of Drug Likeness（Qed）
0.581