Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34434
- Core Entity Id
- 41471
- Source Entity Count
- 1
- Preferred Name
- Taiwaniaflavone
- Name En
- Pubchem Id
- 44456685
- Smiles Canonical
- C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O
- Molecular Formula
- C30H18O10
- Molecular Weight
- 538.4640
- Inchikey
- IMKDLTDRZZSWPR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)30-26(29(38)28-21(36)9-17(33)11-25(28)40-30)18-7-14(3-6-19(18)34)23-12-22(37)27-20(35)8-16(32)10-24(27)39-23/h1-12,31-36H
- Isomeric Smiles
- C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 5.1340
- Num H Donors
- 6
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.1770
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Taiwaniaflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Taiwaniaflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Taiwaniaflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Taiwaniaflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
台湾翠柏
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TAI WAN CUI BAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Taiwan Incense Cedar
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
27090-22-8
Role
alias
Source
HERB_v2
Preferred
No
Name
27090-22-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50093525
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50093525
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL272861
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL272861
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL13980966
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL13980966
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
台湾翠柏TAI WAN CUI BAITaiwan Incense Cedar27090-22-83-(5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one3-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneBDBM50093525CHEMBL272861SCHEMBL13980966
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045408
Npass
NPC291746
Tcmid
20612
Pub Chem
44456685
Tcmbank
TCMBANKIN039436
Etcm Ingredient
Taiwaniaflavone
Itcmdb Generated
ITX-INGREDIENT-0FC2B353150D
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)30-26(29(38)28-21(36)9-17(33)11-25(28)40-30)18-7-14(3-6-19(18)34)23-12-22(37)27-20(35)8-16(32)10-24(27)39-23/h1-12,31-36H
Mol Wt
538.4640000000004
Mol Log P
5.134000000000006
In Ch Ikey
IMKDLTDRZZSWPR-UHFFFAOYSA-N
Tcm Name
台湾翠柏
Tcm Name2
TAI WAN CUI BAI
Mol2 Path
/TCM_database/2007_3d_all/20628.mol2
Reference
4297
Num Hdonors
6
Tcm Name En
Taiwan Incense Cedar
Drug Likeness
0.177
Num Hacceptors
10
Isomeric Smiles
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O
Canonical Smiles
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O
Herb Alias Names
27090-22-83-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one3-(5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneCHEMBL272861SCHEMBL13980966BDBM500935253-(5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
Molecular Weight
538.090
Molecular Weight
538.5 g/mol
Molecular Formula
C30H18O10
Molecular Formula
C30H18O10
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.867
Quantitative Estimate Of Drug Likeness（Qed）
0.177