Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 12Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24216
- Core Entity Id
- 30103
- Source Entity Count
- 1
- Preferred Name
- Laricitrin
- Name En
- Pubchem Id
- 5282154
- Smiles Canonical
- COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
- Molecular Formula
- C16H12O8
- Molecular Weight
- 332.2640
- Inchikey
- CFYMYCCYMJIYAB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O8/c1-23-11-3-6(2-9(19)13(11)20)16-15(22)14(21)12-8(18)4-7(17)5-10(12)24-16/h2-5,17-20,22H,1H3
- Isomeric Smiles
- COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
- Cas Id
- 53472-37-0
- Ob Score
- 35.3810
- Mol Logp
- 1.9966
- Num H Donors
- 5
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Laricitrin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Laricitrin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Laricitrin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Laricitrin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Laricitrin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Laricitrin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-(3,4-dihydroxy-5-methoxy-phenyl)-3,5,7-trihydroxy-chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
2-(3,4-dihydroxy-5-methoxy-phenyl)-3,5,7-trihydroxy-chromone
Role
alias
Source
TCMBank
Preferred
No
Name
2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3'-Methylmyricetin
Role
alias
Source
HERB_v2
Preferred
No
Name
3'-Methylmyricetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
3'-O-Methylmyricetin
Role
alias
Source
TCMBank
Preferred
No
Name
3'-O-Methylmyricetin
Role
alias
Source
HERB_v2
Preferred
No
Name
3'-O-Methylmyricetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
53472-37-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
53472-37-0
Role
alias
Source
HERB_v2
Preferred
No
Name
53472-37-0
Role
alias
Source
TCMBank
Preferred
No
Name
C12633
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:31763
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:31763
Role
alias
Source
HERB_v2
Preferred
No
Name
JQZ2DUC4C9
Role
alias
Source
HERB_v2
Preferred
No
Name
JQZ2DUC4C9
Role
alias
Source
itcmdb_public
Preferred
No
Name
Larycitrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Larycitrin
Role
alias
Source
HERB_v2
Preferred
No
Name
Myricetin 3'-methyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Myricetin 3'-methyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-JQZ2DUC4C9
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-JQZ2DUC4C9
Role
alias
Source
itcmdb_public
Preferred
No
Name
laricitrin
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-(3,4-dihydroxy-5-methoxy-phenyl)-3,5,7-trihydroxy-chromen-4-one2-(3,4-dihydroxy-5-methoxy-phenyl)-3,5,7-trihydroxy-chromone2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-4-chromenone2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromen-4-one3'-Methylmyricetin3'-O-Methylmyricetin53472-37-0C12633CHEBI:31763JQZ2DUC4C9LarycitrinMyricetin 3'-methyl etherUNII-JQZ2DUC4C9
Cross References
Trusted external identifiers retained for this final record.
Cas
53472-37-0
Herb
HBIN032682
Npass
NPC133953
Tcmid
33216
Tcmsp
MOL009278
Sym Map
SMIT10434
Pub Chem
5282154
Tcmbank
TCMBANKIN010961
Etcm Ingredient
Laricitrin
Itcmdb Generated
ITX-INGREDIENT-BFE946174945
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H12O8/c1-23-11-3-6(2-9(19)13(11)20)16-15(22)14(21)12-8(18)4-7(17)5-10(12)24-16/h2-5,17-20,22H,1H3
Mol Wt
332.264
Cas Id
53472-37-0
Smiles
COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Mol Log P
1.996600000000001
Version
v1,v2
In Ch Ikey
CFYMYCCYMJIYAB-UHFFFAOYSA-N
Ob Score
35.3809915635.38099235.381
Suppress
0
Num Hdonors
5
Drug Likeness
0.449
Num Hacceptors
8
Isomeric Smiles
COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Molecule Weight
332.28
Canonical Smiles
COC1=CC(=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Herb Alias Names
53472-37-0Larycitrin3'-Methylmyricetin3'-O-MethylmyricetinJQZ2DUC4C9Myricetin 3'-methyl ether2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromen-4-oneUNII-JQZ2DUC4C9CHEBI:31763
Molecular Weight
332.050
Molecular Weight
332.26
Molecular Formula
C16H12O8
Molecular Formula
C16H12O8
Molecular Formula
C16H12O8
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.799
Quantitative Estimate Of Drug Likeness（Qed）
0.449