Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34429
- Core Entity Id
- 41465
- Source Entity Count
- 1
- Preferred Name
- Taiwanhomoflavone a
- Name En
- Pubchem Id
- 10460859
- Smiles Canonical
- CC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)OC)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O)OC
- Molecular Formula
- C33H24O10
- Molecular Weight
- 580.5450
- Inchikey
- BZHVWUXJPKVWAI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C33H24O10/c1-15-25(41-3)14-28-31(32(15)39)23(38)13-27(42-28)17-6-9-24(40-2)19(10-17)29-20(35)11-21(36)30-22(37)12-26(43-33(29)30)16-4-7-18(34)8-5-16/h4-14,34-36,39H,1-3H3
- Isomeric Smiles
- CC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)OC)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 6.0484
- Num H Donors
- 4
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.1890
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Taiwanhomoflavone A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Taiwanhomoflavone a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Taiwanhomoflavone a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
taiwanhomoflavone a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl)-4-methoxyphenyl)-5-hydroxy-7-methoxy-6-methyl-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl)-4-methoxyphenyl)-5-hydroxy-7-methoxy-6-methyl-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
265120-00-1
Role
alias
Source
HERB_v2
Preferred
No
Name
265120-00-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-6-methyl-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-6-methyl-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:66182
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:66182
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL25937934
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL25937934
Role
alias
Source
HERB_v2
Preferred
No
Name
TaiwanhomoflavoneA
Role
alias
Source
HERB_v2
Preferred
No
Name
taiwanhomoflavone-A
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl)-4-methoxyphenyl)-5-hydroxy-7-methoxy-6-methyl-4H-chromen-4-one265120-00-15,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-6-methyl-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)chromen-4-oneCHEBI:66182SCHEMBL25937934TaiwanhomoflavoneAtaiwanhomoflavone-A
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045405
Npass
NPC286991
Tcmid
20609
Pub Chem
10460859
Tcmbank
TCMBANKIN040974
Etcm Ingredient
Taiwanhomoflavone A
Itcmdb Generated
ITX-INGREDIENT-10A0FBE2E6F8
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C33H24O10/c1-15-25(41-3)14-28-31(32(15)39)23(38)13-27(42-28)17-6-9-24(40-2)19(10-17)29-20(35)11-21(36)30-22(37)12-26(43-33(29)30)16-4-7-18(34)8-5-16/h4-14,34-36,39H,1-3H3
Mol Wt
580.5450000000004
Smiles
CC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)OC)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O)OC
Mol Log P
6.048420000000006
In Ch Ikey
BZHVWUXJPKVWAI-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/20625.mol2
Reference
4759
Num Hdonors
4
Drug Likeness
0.189
Num Hacceptors
10
Isomeric Smiles
CC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)OC)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O)OC
Canonical Smiles
CC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)OC)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O)OC
Herb Alias Names
265120-00-1CHEBI:661825,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-6-methyl-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)chromen-4-oneTaiwanhomoflavoneA2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl)-4-methoxyphenyl)-5-hydroxy-7-methoxy-6-methyl-4H-chromen-4-one2-{3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-4-methoxyphenyl}-5-hydroxy-7-methoxy-6-methyl-4H-chromen-4-onetaiwanhomoflavone-A5,7-dihydroxy-8-(5-(5-hydroxy-7-methoxy-6-methyl-4-oxochromen-2-yl)-2-methoxyphenyl)-2-(4-hydroxyphenyl)chromen-4-oneSCHEMBL25937934
Molecular Weight
580.140
Molecular Weight
580.5 g/mol
Molecular Formula
C33H24O10
Molecular Formula
C33H24O10
Molecular Formula
C33H24O10
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.856
Quantitative Estimate Of Drug Likeness（Qed）
0.189