Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Target: 17Links: 26
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34218
- Core Entity Id
- 41230
- Source Entity Count
- 1
- Preferred Name
- Sulfuretin
- Name En
- Pubchem Id
- 5281295
- Smiles Canonical
- C1=CC(=C(C=C1C=C2C(=O)C3=C(O2)C=C(C=C3)O)O)O
- Molecular Formula
- C15H10O5
- Molecular Weight
- 270.2400
- Inchikey
- RGNXWPVNPFAADO-NSIKDUERSA-N
- Inchi
- InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
- Isomeric Smiles
- C1=CC(=C(C=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.4196
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5470
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sulfuretin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sulfuretin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sulfuretin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Sulfuretin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
sulfuretin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
120-05-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
120-05-8
Role
alias
Source
HERB_v2
Preferred
No
Name
3',4',6-Trihydroxyaurone
Role
alias
Source
HERB_v2
Preferred
No
Name
3',4',6-Trihydroxyaurone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aurone, 6,3',4'-trihydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aurone, 6,3',4'-trihydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:9355
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:9355
Role
alias
Source
HERB_v2
Preferred
No
Name
M6410VY6MI
Role
alias
Source
HERB_v2
Preferred
No
Name
M6410VY6MI
Role
alias
Source
itcmdb_public
Preferred
No
Name
SULFURETIN [MI]
Role
alias
Source
HERB_v2
Preferred
No
Name
SULFURETIN [MI]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sulphuretin
Role
alias
Source
HERB_v2
Preferred
No
Name
Sulphuretin
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-M6410VY6MI
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-M6410VY6MI
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one120-05-83',4',6-TrihydroxyauroneAurone, 6,3',4'-trihydroxy-CHEBI:9355M6410VY6MISULFURETIN [MI]SulphuretinUNII-M6410VY6MI
Cross References
Trusted external identifiers retained for this final record.
Hit
C0422
Herb
HBIN045139
Npass
NPC140840
Tcmid
20465
Sym Map
SMIT26978
Pub Chem
5281295
Tcmbank
TCMBANKIN000076
Etcm Ingredient
Sulfuretin
Itcmdb Generated
ITX-INGREDIENT-044F35DE78BBITX-INGREDIENT-4F0208F28E65
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
Mol Wt
270.24
Smiles
C1=CC(=C(C=C1C=C2C(=O)C3=C(O2)C=C(C=C3)O)O)O
Mol Log P
2.419600000000001
Version
v2
In Ch Ikey
RGNXWPVNPFAADO-NSIKDUERSA-N
Suppress
0
Num Hdonors
3
Drug Likeness
0.547
Num Hacceptors
5
Isomeric Smiles
C1=CC(=C(C=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O)O)O
Canonical Smiles
C1=CC(=C(C=C1C=C2C(=O)C3=C(O2)C=C(C=C3)O)O)O
Herb Alias Names
120-05-8SulphuretinUNII-M6410VY6MI3',4',6-TrihydroxyauroneCHEBI:9355M6410VY6MIAurone, 6,3',4'-trihydroxy-(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-oneSULFURETIN [MI]
Molecular Weight
270.050
Molecular Weight
270.24 g/mol
Molecular Formula
C15H10O5
Molecular Formula
C15H10O5
Molecular Formula
C15H10O5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.932
Quantitative Estimate Of Drug Likeness（Qed）
0.547