ITCMDBv1
IngredientID 7010

5-hydroxy-8-[2-hydroxy-5-(5-hydroxy-4-keto-7-methoxy-chromen-2-yl)phenyl]-2-(4-hydroxyphenyl)-7-methoxy-chromone

C32H22O10

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Herb: 2Ingredient: 1Target: 1Links: 3
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
7010
Core Entity Id
10973
Source Entity Count
1
Preferred Name
5-hydroxy-8-[2-hydroxy-5-(5-hydroxy-4-keto-7-methoxy-chromen-2-yl)phenyl]-2-(4-hydroxyphenyl)-7-methoxy-chromone
Name En
Pubchem Id
13871759
Smiles Canonical
COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)OC)O
Molecular Formula
C32H22O10
Molecular Weight
566.5180
Inchikey
SVIMIMQAVRQGEK-UHFFFAOYSA-N
Inchi
InChI=1S/C32H22O10/c1-39-18-10-21(35)30-22(36)12-26(41-28(30)11-18)16-5-8-20(34)19(9-16)29-27(40-2)14-24(38)31-23(37)13-25(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33-35,38H,1-2H3
Isomeric Smiles
COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)OC)O
Cas Id
Ob Score
1.3470
Mol Logp
5.7400
Num H Donors
4
Num H Acceptors
10
Num Rotatable Bonds
5
Drug Likeness
0.2030
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
5-Hydroxy-8-[2-Hydroxy-5-(5-Hydroxy-4-Keto-7-Methoxy-Chromen-2-Yl)Phenyl]-2-(4-Hydroxyphenyl)-7-Methoxy-Chromone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
5-hydroxy-8-[2-hydroxy-5-(5-hydroxy-4-keto-7-methoxy-chromen-2-yl)phenyl]-2-(4-hydroxyphenyl)-7-methoxy-chromone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5-hydroxy-8-[2-hydroxy-5-(5-hydroxy-4-keto-7-methoxy-chromen-2-yl)phenyl]-2-(4-hydroxyphenyl)-7-methoxy-chromone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-hydroxy-8-[2-hydroxy-5-(5-hydroxy-4-keto-7-methoxy-chromen-2-yl)phenyl]-2-(4-hydroxyphenyl)-7-methoxy-chromone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5-hydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxo-2-chromenyl)phenyl]-2-(4-hydroxyphenyl)-7-methoxy-4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
5-hydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxo-chromen-2-yl)phenyl]-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
7,7''-dimethoxyamentoflavone
Role
preferred
Source
TCMBank
Preferred
Yes

Aliases

Additional names normalized into the restored final schema.

5-hydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxo-2-chromenyl)phenyl]-2-(4-hydroxyphenyl)-7-methoxy-4-chromenone5-hydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxo-chromen-2-yl)phenyl]-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one7,7''-dimethoxyamentoflavone

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN011665HBIN012948
Tcmid
6198
Tcmsp
MOL007571
Sym Map
SMIT08981
Pub Chem
13871759
Tcmbank
TCMBANKIN003477TCMBANKIN044501

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C32H22O10/c1-39-18-10-21(35)30-22(36)12-26(41-28(30)11-18)16-5-8-20(34)19(9-16)29-27(40-2)14-24(38)31-23(37)13-25(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33-35,38H,1-2H3
Mol Wt
566.5180000000004
Smiles
COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)OC)O
Mol Log P
5.740000000000006
Version
v1,v2
In Ch Ikey
SVIMIMQAVRQGEK-UHFFFAOYSA-N
Ob Score
1.3471.347191.347190464
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/06199.mol2
Reference
4707
Num Hdonors
4
Drug Likeness
0.203
Num Hacceptors
10
Isomeric Smiles
COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)OC)O
Molecule Weight
566.54
Canonical Smiles
COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)OC)O
Molecular Weight
566.54
Molecular Formula
C32H22O10
Molecular Formula
C32H22O10
Num Rotatable Bonds
5