ITCMDBv1
IngredientID 391

2-(3',5'-dihydroxy-4'-methoxyphenyl)-3-methoxy-5-hydroxy benzofuran

C16H14O6

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Herb: 2Ingredient: 1Links: 2
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
391
Core Entity Id
3628
Source Entity Count
1
Preferred Name
2-(3',5'-dihydroxy-4'-methoxyphenyl)-3-methoxy-5-hydroxy benzofuran
Name En
Pubchem Id
132068
Smiles Canonical
COC1=C(C=C(C=C1O)C2=C(C3=C(O2)C=CC(=C3)O)OC)O
Molecular Formula
C16H14O6
Molecular Weight
302.2820
Inchikey
CAEHKJSYOQDIJH-UHFFFAOYSA-N
Inchi
InChI=1S/C16H14O6/c1-20-15-10-7-9(17)3-4-13(10)22-14(15)8-5-11(18)16(21-2)12(19)6-8/h3-7,17-19H,1-2H3
Isomeric Smiles
COC1=C(C=C(C=C1O)C2=C(C3=C(O2)C=CC(=C3)O)OC)O
Cas Id
Ob Score
Mol Logp
3.2338
Num H Donors
3
Num H Acceptors
6
Num Rotatable Bonds
3
Drug Likeness
0.6880
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
2-(3',5'-Dihydroxy-4'-methoxyphenyl)-3-methoxy-5-hydroxy benzofuran
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-(3',5'-Dihydroxy-4'-methoxyphenyl)-3-methoxy-5-hydroxy benzofuran
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(3',5'-dihydroxy-4'-methoxyphenyl)-3-methoxy-5-hydroxy benzofuran
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-(3',5'-dihydroxy-4'-methoxyphenyl)-3-methoxy-5-hydroxy benzofuran
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
XIAO MAI MA TENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
1,3-Benzenediol, 5-(5-hydroxy-3-methoxy-2-benzofuranyl)-2-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3-Benzenediol, 5-(5-hydroxy-3-methoxy-2-benzofuranyl)-2-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
137476-72-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
137476-72-3
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3',5'-Dihydroxy-4'-methoxyphenyl)-3-methoxy-5-hydroxybenzofuran
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3',5'-Dihydroxy-4'-methoxyphenyl)-3-methoxy-5-hydroxybenzofuran
Role
alias
Source
HERB_v2
Preferred
No
Name
5-(5-hydroxy-3-methoxy-1-benzofuran-2-yl)-2-methoxybenzene-1,3-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-(5-hydroxy-3-methoxy-1-benzofuran-2-yl)-2-methoxybenzene-1,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID6082690
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID6082690
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60160199
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60160199
Role
alias
Source
itcmdb_public
Preferred
No
Name
Gnetifolin A
Role
alias
Source
HERB_v2
Preferred
No
Name
Gnetifolin A
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

XIAO MAI MA TENG1,3-Benzenediol, 5-(5-hydroxy-3-methoxy-2-benzofuranyl)-2-methoxy-137476-72-32-(3',5'-Dihydroxy-4'-methoxyphenyl)-3-methoxy-5-hydroxybenzofuran5-(5-hydroxy-3-methoxy-1-benzofuran-2-yl)-2-methoxybenzene-1,3-diolDTXCID6082690DTXSID60160199Gnetifolin A

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN003920
Tcmid
5996
Pub Chem
132068
Tcmbank
TCMBANKIN038360
Etcm Ingredient
2-(3',5'-Dihydroxy-4'-methoxyphenyl)-3-methoxy-5-hydroxy benzofuran
Itcmdb Generated
ITX-INGREDIENT-EF86387D332F

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C16H14O6/c1-20-15-10-7-9(17)3-4-13(10)22-14(15)8-5-11(18)16(21-2)12(19)6-8/h3-7,17-19H,1-2H3
Mol Wt
302.282
Mol Log P
3.233800000000002
In Ch Ikey
CAEHKJSYOQDIJH-UHFFFAOYSA-N
Tcm Name2
XIAO MAI MA TENG
Mol2 Path
/TCM_database/2007_3d_all/05997.mol2
Reference
193
Num Hdonors
3
Drug Likeness
0.688
Num Hacceptors
6
Isomeric Smiles
COC1=C(C=C(C=C1O)C2=C(C3=C(O2)C=CC(=C3)O)OC)O
Canonical Smiles
COC1=C(C=C(C=C1O)C2=C(C3=C(O2)C=CC(=C3)O)OC)O
Herb Alias Names
Gnetifolin A137476-72-32-(3',5'-Dihydroxy-4'-methoxyphenyl)-3-methoxy-5-hydroxybenzofuran5-(5-hydroxy-3-methoxy-1-benzofuran-2-yl)-2-methoxybenzene-1,3-diolDTXSID601601991,3-Benzenediol, 5-(5-hydroxy-3-methoxy-2-benzofuranyl)-2-methoxy-DTXCID6082690
Molecular Weight
302.080
Molecular Weight
302.28 g/mol
Molecular Formula
C16H14O6
Molecular Formula
C16H14O6
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.490
Quantitative Estimate Of Drug Likeness（Qed）
0.688