Relationship Network
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27161
- Core Entity Id
- 33375
- Source Entity Count
- 1
- Preferred Name
- Naringenin trimethyl ether
- Name En
- Pubchem Id
- 5003667
- Smiles Canonical
- COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC)OC
- Molecular Formula
- C18H18O5
- Molecular Weight
- 314.3370
- Inchikey
- MQFSCAHSIUPLSB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H18O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-9,15H,10H2,1-3H3
- Isomeric Smiles
- COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.4189
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.8650
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Naringenin trimethyl ether
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Naringenin trimethyl ether
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Naringenin trimethyl ether
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Naringenin trimethyl ether
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
长叶哥纳香
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHANG YE GE NA XIANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Longleaf Goniothalamus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
38302-15-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
38302-15-7
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dimethoxy-2-(4-methoxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dimethoxy-2-(4-methoxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
5, 4' Trimethoxy Flavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5, 4' Trimethoxy Flavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7,4'-Trimethoxyflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7,4'-Trimethoxyflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-Dimethoxy-2-(4-methoxyphenyl)chroman-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-Dimethoxy-2-(4-methoxyphenyl)chroman-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL483550
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL483550
Role
alias
Source
HERB_v2
Preferred
No
Name
Naringenintrimethylether
Role
alias
Source
HERB_v2
Preferred
No
Name
Naringenintrimethylether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oprea1_436908
Role
alias
Source
HERB_v2
Preferred
No
Name
Oprea1_436908
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
长叶哥纳香CHANG YE GE NA XIANGLongleaf Goniothalamus38302-15-74H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dimethoxy-2-(4-methoxyphenyl)-5, 4' Trimethoxy Flavanone5,7,4'-Trimethoxyflavanone5,7-Dimethoxy-2-(4-methoxyphenyl)chroman-4-one5,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-oneCHEMBL483550NaringenintrimethyletherOprea1_436908
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036379
Npass
NPC99854
Tcmid
15277
Pub Chem
5003667
Tcmbank
TCMBANKIN049744
Etcm Ingredient
Naringenin trimethyl ether
Itcmdb Generated
ITX-INGREDIENT-9E351736D5DB
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H18O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-9,15H,10H2,1-3H3
Mol Wt
314.337
Mol Log P
3.418900000000002
In Ch Ikey
MQFSCAHSIUPLSB-UHFFFAOYSA-N
Tcm Name
长叶哥纳香
Tcm Name2
CHANG YE GE NA XIANG
Mol2 Path
/TCM_database/2007_3d_all/15285.mol2
Reference
5096
Num Hdonors
0
Tcm Name En
Longleaf Goniothalamus
Drug Likeness
0.865
Num Hacceptors
5
Isomeric Smiles
COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC)OC
Canonical Smiles
COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC)OC
Herb Alias Names
38302-15-75,7-Dimethoxy-2-(4-methoxyphenyl)chroman-4-one5,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one5,7,4'-Trimethoxyflavanone4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dimethoxy-2-(4-methoxyphenyl)-NaringenintrimethyletherOprea1_4369085, 4' Trimethoxy FlavanoneCHEMBL483550
Molecular Weight
314.120
Molecular Weight
314.3 g/mol
Molecular Formula
C18H18O5
Molecular Formula
C18H18O5
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.349
Quantitative Estimate Of Drug Likeness（Qed）
0.865