ITCMDBv1
IngredientID 8173

7,9-dihydroxy-6-(4-hydroxyphenyl)pyrano[2,3-f][1,3]benzodioxol-8-one

C16H10O7

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Herb: 3Ingredient: 1Target: 12Links: 15
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
8173
Core Entity Id
12257
Source Entity Count
1
Preferred Name
7,9-dihydroxy-6-(4-hydroxyphenyl)pyrano[2,3-f][1,3]benzodioxol-8-one
Name En
Pubchem Id
9883305
Smiles Canonical
C1OC2=C(O1)C(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O
Molecular Formula
C16H10O7
Molecular Weight
314.2490
Inchikey
WBQNGHIOSSPSDW-UHFFFAOYSA-N
Inchi
InChI=1S/C16H10O7/c17-8-3-1-7(2-4-8)15-14(20)12(18)11-9(23-15)5-10-16(13(11)19)22-6-21-10/h1-5,17,19-20H,6H2
Isomeric Smiles
C1OC2=C(O1)C(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O
Cas Id
70610-25-2
Ob Score
48.6250
Mol Logp
2.3055
Num H Donors
3
Num H Acceptors
7
Num Rotatable Bonds
1
Drug Likeness
0.6320
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
7,9-Dihydroxy-6-(4-Hydroxyphenyl)Pyrano[2,3-F][1,3]Benzodioxol-8-One
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
7,9-Dihydroxy-6-(4-Hydroxyphenyl)Pyrano[2,3-F][1,3]Benzodioxol-8-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7,9-dihydroxy-6-(4-hydroxyphenyl)pyrano[2,3-f][1,3]benzodioxol-8-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7,9-dihydroxy-6-(4-hydroxyphenyl)pyrano[2,3-f][1,3]benzodioxol-8-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7,9-dihydroxy-6-(4-hydroxyphenyl)pyrano[2,3-f][1,3]benzodioxol-8-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7,9-dihydroxy-6-(4-hydroxyphenyl)pyrano[2,3-f][1,3]benzodioxol-8-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,5,4'-trihydroxy-6,7-methylenedioxy flavone
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5,4'-trihydroxy-6,7-methylenedioxy flavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,9-dihydroxy-6-(4-hydroxyphenyl)-8-pyrano[2,3-f][1,3]benzodioxolone
Role
alias
Source
TCMBank
Preferred
No
Name
7,9-dihydroxy-6-(4-hydroxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7,9-dihydroxy-6-(4-hydroxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
70610-25-2
Role
alias
Source
HERB_v2
Preferred
No
Name
70610-25-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:230112
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:230112
Role
alias
Source
HERB_v2
Preferred
No
Name
Gomphrenol
Role
alias
Source
HERB_v2
Preferred
No
Name
Gomphrenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12112878
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12112878
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL6412437
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL6412437
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

3,5,4'-trihydroxy-6,7-methylenedioxy flavone7,9-dihydroxy-6-(4-hydroxyphenyl)-8-pyrano[2,3-f][1,3]benzodioxolone7,9-dihydroxy-6-(4-hydroxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one70610-25-2CHEBI:230112GomphrenolLMPK12112878SCHEMBL6412437

Cross References

Trusted external identifiers retained for this final record.

Cas
70610-25-2
Herb
HBIN013004
Tcmsp
MOL001516
Sym Map
SMIT03920
Pub Chem
9883305
Tcmbank
TCMBANKIN026747
Etcm Ingredient
7,9-dihydroxy-6-(4-hydroxyphenyl)pyrano[2,3-f][1,3]benzodioxol-8-one
Itcmdb Generated
ITX-INGREDIENT-F90E9997DEBE

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C16H10O7/c17-8-3-1-7(2-4-8)15-14(20)12(18)11-9(23-15)5-10-16(13(11)19)22-6-21-10/h1-5,17,19-20H,6H2
Mol Wt
314.249
Cas Id
70610-25-2
Mol Log P
2.3055
Version
v1,v2
In Ch Ikey
WBQNGHIOSSPSDW-UHFFFAOYSA-N
Ob Score
48.62548.62504348.62504318
Suppress
0
Num Hdonors
3
Drug Likeness
0.632
Num Hacceptors
7
Isomeric Smiles
C1OC2=C(O1)C(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O
Molecule Weight
314.26
Canonical Smiles
C1OC2=C(O1)C(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O
Herb Alias Names
Gomphrenol7,9-dihydroxy-6-(4-hydroxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one7,9-dihydroxy-6-(4-hydroxyphenyl)-(1,3)dioxolo(4,5-g)chromen-8-oneSCHEMBL6412437CHEBI:230112LMPK121128783,5,4'-trihydroxy-6,7-methylenedioxy flavone70610-25-2
Molecular Weight
314.040
Molecular Weight
314.25
Molecular Formula
C16H10O7
Molecular Formula
C16H10O7
Molecular Formula
C16H10O7
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.017
Quantitative Estimate Of Drug Likeness（Qed）
0.632