IngredientID 7316

6-[5-(5,7-dihydroxy-4-keto-chromen-2-yl)-2-methoxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromone

C31H20O10

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Herb: 1Ingredient: 1Target: 4Links: 5

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 7316
Core Entity Id: 11314
Source Entity Count: 1
Preferred Name: 6-[5-(5,7-dihydroxy-4-keto-chromen-2-yl)-2-methoxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromone
Name En
Pubchem Id: 11757331
Smiles Canonical: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C5=C(C=C4O)OC(=CC5=O)C6=CC=C(C=C6)O)O
Molecular Formula: C31H20O10
Molecular Weight: 552.4910
Inchikey: ZBOKFHZIWKIWRZ-UHFFFAOYSA-N
Inchi: InChI=1S/C31H20O10/c1-39-23-7-4-15(25-11-21(36)29-19(34)9-17(33)10-26(29)41-25)8-18(23)28-20(35)13-27-30(31(28)38)22(37)12-24(40-27)14-2-5-16(32)6-3-14/h2-13,32-35,38H,1H3
Isomeric Smiles: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C5=C(C=C4O)OC(=CC5=O)C6=CC=C(C=C6)O)O
Cas Id
Ob Score: 44.9580
Mol Logp: 5.4370
Num H Donors: 5
Num H Acceptors: 10
Num Rotatable Bonds: 4
Drug Likeness: 0.1900
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

6-[5-(5,7-Dihydroxy-4-Keto-Chromen-2-Yl)-2-Methoxy-Phenyl]-5,7-Dihydroxy-2-(4-Hydroxyphenyl)Chromone

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

6-[5-(5,7-dihydroxy-4-keto-chromen-2-yl)-2-methoxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromone

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

6-[5-(5,7-dihydroxy-4-keto-chromen-2-yl)-2-methoxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromone

Role

preferred

Source

TCMBank

Preferred

Yes

Name

6-[5-(5,7-dihydroxy-4-keto-chromen-2-yl)-2-methoxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromone

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

6-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

6-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

6-[5-(5,7-dihydroxy-4-oxo-2-chromenyl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone

Role

alias

Source

TCMBank

Preferred

Name

6-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-methoxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

6-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-methoxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

BDBM50457775

Role

alias

Source

HERB_v2

Preferred

Name

BDBM50457775

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL451902

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL451902

Role

alias

Source

itcmdb_public

Preferred

Name

robustaflavone-4'-methyl ether

Role

alias

Source

itcmdb_public

Preferred

Name

robustaflavone-4'-methyl ether

Role

alias

Source

HERB_v2

Preferred

Name

Robustaflavone 4'-O-Methyl Ether

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

robustaflavone 4'-o-methyl ether

Role

preferred

Source

TCMBank

Preferred

Yes

Name

大叶菜

Role

TCM_name

Source

TCMBank

Preferred

Name

DA YE CAI

Role

TCM_name2

Source

TCMBank

Preferred

Name

Doederlein’s Spikemoss

Role

TCM_name_en

Source

TCMBank

Preferred

Name

robustafavone 4′-methyl ether

Role

alias

Source

TCMBank

Preferred

Name

robustaflavone4'-O-methyl ether

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

6-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one6-[5-(5,7-dihydroxy-4-oxo-2-chromenyl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone6-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-methoxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneBDBM50457775CHEMBL451902robustaflavone-4'-methyl etherRobustaflavone 4'-O-Methyl Ether大叶菜DA YE CAIDoederlein’s Spikemossrobustafavone 4′-methyl etherrobustaflavone4'-O-methyl ether

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN012029HBIN042360

Npass

NPC72425

Tcmid

188503869838700

Tcmsp

MOL007576

Sym Map

SMIT08985SMIT26527

Pub Chem

11757331

Tcmbank

TCMBANKIN035367TCMBANKIN010569TCMBANKIN061488

Itcmdb Generated

ITX-INGREDIENT-9B9A6F50A1A2ITX-INGREDIENT-D4E0551A47C2

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C31H20O10/c1-39-23-7-4-15(25-11-21(36)29-19(34)9-17(33)10-26(29)41-25)8-18(23)28-20(35)13-27-30(31(28)38)22(37)12-24(40-27)14-2-5-16(32)6-3-14/h2-13,32-35,38H,1H3

Mol Wt

552.4910000000004

Smiles

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C5=C(C=C4O)OC(=CC5=O)C6=CC=C(C=C6)O)O

Mol Log P

5.437000000000006

Version

v1,v2

In Ch Ikey

ZBOKFHZIWKIWRZ-UHFFFAOYSA-N

Ob Score

44.95844.95831244.95831232

Suppress

Tcm Name

大叶菜

Tcm Name2

DA YE CAI

Mol2 Path

/TCM_database/2007_3d_all/18865.mol2

Reference

4567

Num Hdonors

Tcm Name En

Doederlein’s Spikemoss

Drug Likeness

0.19

Num Hacceptors

Isomeric Smiles

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C5=C(C=C4O)OC(=CC5=O)C6=CC=C(C=C6)O)O

Molecule Weight

552.51

Canonical Smiles

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C5=C(C=C4O)OC(=CC5=O)C6=CC=C(C=C6)O)O

Herb Alias Names

CHEMBL451902robustaflavone-4'-methyl etherRobustaflavone-4''''-Methyl EtherBDBM504577756-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one6-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-methoxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Molecular Weight

552.5 g/mol

Molecular Formula

C31H20O10

Molecular Formula

C31H20O10

Num Rotatable Bonds