ITCMDBv1
IngredientID 34471

Tamarixetin

C16H12O7

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

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Herb: 7Ingredient: 1Target: 12Links: 19
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
34471
Core Entity Id
41511
Source Entity Count
1
Preferred Name
Tamarixetin
Name En
Pubchem Id
5281699
Smiles Canonical
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Molecular Formula
C16H12O7
Molecular Weight
316.2650
Inchikey
FPLMIPQZHHQWHN-UHFFFAOYSA-N
Inchi
InChI=1S/C16H12O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
Isomeric Smiles
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Cas Id
Ob Score
32.8587
Mol Logp
2.2910
Num H Donors
4
Num H Acceptors
7
Num Rotatable Bonds
2
Drug Likeness
0.5720
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Tamarixetin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tamarixetin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tamarixetin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Tamarixetin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Tamarixetin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
黄花蒿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUANG HUA HAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sweet Wormwood
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3,3',5,7-Tetrahydroxy-4'-methoxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
3,3',5,7-Tetrahydroxy-4'-methoxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
4'-Methoxyquercetin
Role
alias
Source
HERB_v2
Preferred
No
Name
4'-Methoxyquercetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
4'-Methylquercetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
4'-Methylquercetin
Role
alias
Source
HERB_v2
Preferred
No
Name
4'-O-Methyl Quercetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
4'-O-Methylquercetin
Role
alias
Source
HERB_v2
Preferred
No
Name
603-61-2
Role
alias
Source
HERB_v2
Preferred
No
Name
603-61-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
Quercetin 4'-methyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Quercetin, 4'-methyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-73WRA8Z8M8
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-73WRA8Z8M8
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone
Role
alias
Source
TCMBank
Preferred
No
Name
3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
3,5,7-trihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromone
Role
alias
Source
TCMBank
Preferred
No
Name
3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
3-O-alpha-L-rhamnopyranosyl-1-2-beta-D-glucopyranoside
Role
alias
Source
TCMBank
Preferred
No
Name
3-O-rhamnopyranosyl-1-2-glucopyranoside
Role
alias
Source
TCMBank
Preferred
No
Name
4'-Methoxy-3,3',5,7-tetrahydroxyflavone
Role
alias
Source
TCMBank
Preferred
No
Name
4'-methoxy-3,5,7,3'-tetrahydroflavone
Role
alias
Source
TCMBank
Preferred
No
Name
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
73WRA8Z8M8
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NQYX7
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS024287252
Role
alias
Source
TCMBank
Preferred
No
Name
BDBM50325674
Role
alias
Source
TCMBank
Preferred
No
Name
C-19473
Role
alias
Source
TCMBank
Preferred
No
Name
C10188
Role
alias
Source
TCMBank
Preferred
No
Name
CC-34633
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:67492
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL226034
Role
alias
Source
TCMBank
Preferred
No
Name
D06PZE
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID00209056
Role
alias
Source
TCMBank
Preferred
No
Name
FPLMIPQZHHQWHN-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
FT-0603487
Role
alias
Source
TCMBank
Preferred
No
Name
LMPK12110606
Role
alias
Source
TCMBank
Preferred
No
Name
MCULE-8124433804
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00017308
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-001-741-910
Role
alias
Source
TCMBank
Preferred
No
Name
Quercetin-4'-methylether
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL892776
Role
alias
Source
TCMBank
Preferred
No
Name
ST50331691
Role
alias
Source
TCMBank
Preferred
No
Name
ST5331691
Role
alias
Source
TCMBank
Preferred
No
Name
Tamaraxetin
Role
alias
Source
TCMBank
Preferred
No
Name
W2755
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC6484604
Role
alias
Source
TCMBank
Preferred
No
Name
tamarixetin
Role
alias
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

黄花蒿HUANG HUA HAOSweet Wormwood3,3',5,7-Tetrahydroxy-4'-methoxyflavone4'-Methoxyquercetin4'-Methylquercetin4'-O-Methyl Quercetin4'-O-Methylquercetin603-61-2Quercetin 4'-methyl etherQuercetin, 4'-methyl etherUNII-73WRA8Z8M83,5,7-Trihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-chromen-4-one3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one3,5,7-trihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromone3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromenone3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one3-O-alpha-L-rhamnopyranosyl-1-2-beta-D-glucopyranoside3-O-rhamnopyranosyl-1-2-glucopyranoside4'-Methoxy-3,3',5,7-tetrahydroxyflavone4'-methoxy-3,5,7,3'-tetrahydroflavone4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)- (9CI)4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-73WRA8Z8M8AC1NQYX7AKOS024287252BDBM50325674C-19473C10188CC-34633CHEBI:67492CHEMBL226034D06PZEDTXSID00209056FPLMIPQZHHQWHN-UHFFFAOYSA-NFT-0603487LMPK12110606MCULE-8124433804MFCD00017308MolPort-001-741-910Quercetin-4'-methyletherSCHEMBL892776ST50331691ST5331691TamaraxetinW2755ZINC6484604

Cross References

Trusted external identifiers retained for this final record.

Cas
603-61-2
Herb
HBIN045450HBIN010604
Npass
NPC54394
Tcmid
2064141534
Tcmsp
MOL004083
Sym Map
SMIT01635SMIT06062
Tcm Id
659150381503915040150411883318834188352072420725
Pub Chem
5281699
Tcmbank
TCMBANKIN009340TCMBANKIN061479
Etcm Ingredient
Tamarixetin
Itcmdb Generated
ITX-INGREDIENT-7FCACC259F66ITX-INGREDIENT-8E35043387EA

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C16H12O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
Mol Wt
316.2649999999999
Smiles
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Mol Log P
2.291000000000001
Version
v1,v2
In Ch Ikey
FPLMIPQZHHQWHN-UHFFFAOYSA-N
Ob Score
32.85867145
Suppress
1
Tcm Name
黄花蒿
Tcm Name2
HUANG HUA HAO
Mol2 Path
/TCM_database/2007_3d_all/20657.mol2
Reference
660
Num Hdonors
4
Tcm Name En
Sweet Wormwood
Drug Likeness
0.572
Num Hacceptors
7
Isomeric Smiles
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Molecule Weight
316.28
Canonical Smiles
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Herb Alias Names
603-61-24'-Methoxyquercetin4'-O-Methylquercetin4'-O-Methyl QuercetinQuercetin 4'-methyl ether4'-Methylquercetin3,3',5,7-Tetrahydroxy-4'-methoxyflavoneQuercetin, 4'-methyl etherUNII-73WRA8Z8M8
Molecular Weight
316.060
Molecular Weight
316.26 g/mol
Molecule Formula
C16H12O7
Molecular Formula
C16H12O7
Molecular Formula
C16H12O7
Molecular Formula
C16H12O7
Num Rotatable Bonds
2
Link Ingredient Id
1635.0
Fda Maximum Daily Dose (Fdamdd)
0.461
Quantitative Estimate Of Drug Likeness（Qed）
0.572