ITCMDBv1
IngredientID 8700

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

C33H24O10

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Herb: 3Ingredient: 1Target: 2Links: 5
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
8700
Core Entity Id
12839
Source Entity Count
1
Preferred Name
8-[5-(5,7-dihydroxy-4-keto-chromen-2-yl)-2-methoxy-phenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromone
Name En
Pubchem Id
9894522
Smiles Canonical
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)OC
Molecular Formula
C33H24O10
Molecular Weight
580.5450
Inchikey
RROKRDUARFDCDH-UHFFFAOYSA-N
Inchi
InChI=1S/C33H24O10/c1-39-19-7-4-16(5-8-19)26-14-23(37)32-24(38)15-28(41-3)30(33(32)43-26)20-10-17(6-9-25(20)40-2)27-13-22(36)31-21(35)11-18(34)12-29(31)42-27/h4-15,34-35,38H,1-3H3
Isomeric Smiles
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)OC
Cas Id
481-45-8
Ob Score
0.8866
Mol Logp
6.0430
Num H Donors
3
Num H Acceptors
10
Num Rotatable Bonds
6
Drug Likeness
0.2130
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
8-[5-(5,7-Dihydroxy-4-Keto-Chromen-2-Yl)-2-Methoxy-Phenyl]-5-Hydroxy-7-Methoxy-2-(4-Methoxyphenyl)Chromone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
8-[5-(5,7-dihydroxy-4-keto-chromen-2-yl)-2-methoxy-phenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
8-[5-(5,7-dihydroxy-4-keto-chromen-2-yl)-2-methoxy-phenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
8-[5-(5,7-dihydroxy-4-keto-chromen-2-yl)-2-methoxy-phenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
481-45-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
481-45-8
Role
alias
Source
HERB_v2
Preferred
No
Name
8-(5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-[5-(5,7-dihydroxy-4-oxo-2-chromenyl)-2-methoxyphenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
8-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-methoxy-phenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040762712
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040762712
Role
alias
Source
HERB_v2
Preferred
No
Name
Amentoflavone 4',4''',7''-trimethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Amentoflavone 4',4''',7''-trimethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kayaflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
Kayaflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
kayaflavone
Role
preferred
Source
TCMBank
Preferred
Yes

Aliases

Additional names normalized into the restored final schema.

481-45-88-(5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one8-[5-(5,7-dihydroxy-4-oxo-2-chromenyl)-2-methoxyphenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-chromenone8-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-methoxy-phenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-oneAKOS040762712Amentoflavone 4',4''',7''-trimethyl etherKayaflavone

Cross References

Trusted external identifiers retained for this final record.

Cas
481-45-8
Herb
HBIN013571HBIN032120
Npass
NPC186227
Tcmid
12181
Tcmsp
MOL011323
Sym Map
SMIT12245
Pub Chem
9894522
Tcmbank
TCMBANKIN006704TCMBANKIN007736

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C33H24O10/c1-39-19-7-4-16(5-8-19)26-14-23(37)32-24(38)15-28(41-3)30(33(32)43-26)20-10-17(6-9-25(20)40-2)27-13-22(36)31-21(35)11-18(34)12-29(31)42-27/h4-15,34-35,38H,1-3H3
Mol Wt
580.5450000000004
Cas Id
481-45-8
Smiles
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)OC
Mol Log P
6.043000000000006
Version
v1,v2
In Ch Ikey
RROKRDUARFDCDH-UHFFFAOYSA-N
Ob Score
0.8866270.8866273010.887
Suppress
0
Num Hdonors
3
Drug Likeness
0.213
Num Hacceptors
10
Isomeric Smiles
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)OC
Molecule Weight
580.57
Canonical Smiles
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)OC
Herb Alias Names
Kayaflavone481-45-8Amentoflavone 4',4''',7''-trimethyl ether8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one8-(5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-oneAKOS040762712
Molecular Weight
580.54
Molecular Formula
C33H24O10
Molecular Formula
C33H24O10
Num Rotatable Bonds
6