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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8464
- Core Entity Id
- 12577
- Source Entity Count
- 1
- Preferred Name
- 7-methoxy-3,3',4',6-tetrahydroxyflavone
- Name En
- Pubchem Id
- 21159096
- Smiles Canonical
- COC1=C(C=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O
- Molecular Formula
- C16H12O7
- Molecular Weight
- 316.2650
- Inchikey
- DZMMKNCBWCZLDC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O7/c1-22-13-6-12-8(5-11(13)19)14(20)15(21)16(23-12)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
- Isomeric Smiles
- COC1=C(C=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.2910
- Num H Donors
- 4
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-Methoxy-3,3',4',6-Tetrahydroxyflavone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7-Methoxy-3,3',4',6-tetrahydroxyflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7-methoxy-3,3',4',6-tetrahydroxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7-methoxy-3,3',4',6-tetrahydroxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7-methoxy-3,3',4',6-tetrahydroxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-7-methoxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-7-methoxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
205316-55-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
205316-55-8
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Methoxy-3,6,3',4'-tetrahydroxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Methoxy-3,6,3',4'-tetrahydroxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12111595
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12111595
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-7-methoxychromen-4-one205316-55-87-Methoxy-3,6,3',4'-tetrahydroxyflavoneLMPK12111595
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013312
Tcmid
14091
Sym Map
SMIT16525
Pub Chem
21159096
Tcmbank
TCMBANKIN008716
Etcm Ingredient
7-Methoxy-3,3',4',6-tetrahydroxyflavone
Itcmdb Generated
ITX-INGREDIENT-6647C7BE2FC5
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H12O7/c1-22-13-6-12-8(5-11(13)19)14(20)15(21)16(23-12)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
Mol Wt
316.265
Smiles
COC1=C(C=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O
Mol Log P
2.291000000000001
Version
v1,v2
In Ch Ikey
DZMMKNCBWCZLDC-UHFFFAOYSA-N
Suppress
0
Num Hdonors
4
Drug Likeness
0.535
Num Hacceptors
7
Isomeric Smiles
COC1=C(C=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O
Canonical Smiles
COC1=C(C=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O
Herb Alias Names
7-Methoxy-3,6,3',4'-tetrahydroxyflavoneLMPK121115952-(3,4-dihydroxyphenyl)-3,6-dihydroxy-7-methoxychromen-4-one205316-55-8
Molecular Weight
302.040
Molecular Weight
316.26 g/mol
Molecular Formula
C15H10O7
Molecular Formula
C16H12O7
Molecular Formula
C16H12O7
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.612
Quantitative Estimate Of Drug Likeness（Qed）
0.434