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
- 34430
- Core Entity Id
- 41466
- Source Entity Count
- 1
- Preferred Name
- Taiwanhomoflavone b
- Name En
- Pubchem Id
- 124222291
- Smiles Canonical
- CC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)OC4=C(C=C5C(=C4O)C(=O)C=C(O5)C6=CC=C(C=C6)O)OC)O
- Molecular Formula
- C32H24O10
- Molecular Weight
- 568.5340
- Inchikey
- KFJPGGGJZYXVJH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C32H24O10/c1-15-20(34)11-25-28(30(15)37)21(35)12-24(41-25)17-5-9-19(10-6-17)40-32-27(39-2)14-26-29(31(32)38)22(36)13-23(42-26)16-3-7-18(33)8-4-16/h3-11,13-14,24,33-34,37-38H,12H2,1-2H3
- Isomeric Smiles
- CC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)OC4=C(C=C5C(=C4O)C(=O)C=C(O5)C6=CC=C(C=C6)O)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 6.0982
- Num H Donors
- 4
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.1950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Taiwanhomoflavone B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Taiwanhomoflavone B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Taiwanhomoflavone b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Taiwanhomoflavone b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
台湾粗榧
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TAI WAN CU FEI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Wilson Plumyew
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
509077-91-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
509077-91-2
Role
alias
Source
HERB_v2
Preferred
No
Name
6-[4-(5,7-Dihydroxy-6-methyl-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6-[4-(5,7-Dihydroxy-6-methyl-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-[4-(5,7-dihydroxy-6-methyl-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenoxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-[4-(5,7-dihydroxy-6-methyl-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenoxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
台湾粗榧TAI WAN CU FEIWilson Plumyew509077-91-26-[4-(5,7-Dihydroxy-6-methyl-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one6-[4-(5,7-dihydroxy-6-methyl-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenoxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045406
Tcmid
20610
Pub Chem
124222291
Tcmbank
TCMBANKIN037450
Etcm Ingredient
Taiwanhomoflavone B
Itcmdb Generated
ITX-INGREDIENT-787974E3F99D
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C32H24O10/c1-15-20(34)11-25-28(30(15)37)21(35)12-24(41-25)17-5-9-19(10-6-17)40-32-27(39-2)14-26-29(31(32)38)22(36)13-23(42-26)16-3-7-18(33)8-4-16/h3-11,13-14,24,33-34,37-38H,12H2,1-2H3
Mol Wt
568.5340000000003
Mol Log P
6.098220000000008
In Ch Ikey
KFJPGGGJZYXVJH-UHFFFAOYSA-N
Tcm Name
台湾粗榧
Tcm Name2
TAI WAN CU FEI
Mol2 Path
/TCM_database/2007_3d_all/20626.mol2
Reference
4253
Num Hdonors
4
Tcm Name En
Wilson Plumyew
Drug Likeness
0.195
Num Hacceptors
10
Isomeric Smiles
CC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)OC4=C(C=C5C(=C4O)C(=O)C=C(O5)C6=CC=C(C=C6)O)OC)O
Canonical Smiles
CC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)OC4=C(C=C5C(=C4O)C(=O)C=C(O5)C6=CC=C(C=C6)O)OC)O
Herb Alias Names
509077-91-26-[4-(5,7-dihydroxy-6-methyl-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenoxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one6-[4-(5,7-Dihydroxy-6-methyl-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Molecular Weight
568.140
Molecular Weight
568.5 g/mol
Molecular Formula
C32H24O10
Molecular Formula
C32H24O10
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.935
Quantitative Estimate Of Drug Likeness（Qed）
0.195