Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Reference: 1Target: 4Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19246
- Core Entity Id
- 24572
- Source Entity Count
- 1
- Preferred Name
- Flavokawain a
- Name En
- Pubchem Id
- 5355469
- Smiles Canonical
- COC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2OC)OC)O
- Molecular Formula
- C18H18O5
- Molecular Weight
- 314.3370
- Inchikey
- CGIBCVBDFUTMPT-RMKNXTFCSA-N
- Inchi
- InChI=1S/C18H18O5/c1-21-13-7-4-12(5-8-13)6-9-15(19)18-16(20)10-14(22-2)11-17(18)23-3/h4-11,20H,1-3H3/b9-6+
- Isomeric Smiles
- COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OC)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 3.3141
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.6540
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Flavokawain A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Flavokawain A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Flavokawain a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Flavokawain a
Role
preferred
Source
HERB_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
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2'-Hydroxy-4,4',6'-trimethoxychalcone
Role
alias
Source
HERB_v2
Preferred
No
Name
2'-Hydroxy-4,4',6'-trimethoxychalcone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3420-72-2
Role
alias
Source
HERB_v2
Preferred
No
Name
3420-72-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
37951-13-6
Role
alias
Source
HERB_v2
Preferred
No
Name
37951-13-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Methoxyflavokawain B
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Methoxyflavokawain B
Role
alias
Source
HERB_v2
Preferred
No
Name
64680-84-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
64680-84-8
Role
alias
Source
HERB_v2
Preferred
No
Name
8OM2XZ2ZM3
Role
alias
Source
itcmdb_public
Preferred
No
Name
8OM2XZ2ZM3
Role
alias
Source
HERB_v2
Preferred
No
Name
FLAVOKAVAIN A(P)
Role
alias
Source
HERB_v2
Preferred
No
Name
FLAVOKAVAIN A(P)
Role
alias
Source
itcmdb_public
Preferred
No
Name
flavokavin A
Role
alias
Source
itcmdb_public
Preferred
No
Name
flavokavin A
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
长叶哥纳香CHANG YE GE NA XIANGLongleaf Goniothalamus(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one2'-Hydroxy-4,4',6'-trimethoxychalcone3420-72-237951-13-64-Methoxyflavokawain B64680-84-88OM2XZ2ZM3FLAVOKAVAIN A(P)flavokavin A
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026548
Npass
NPC242294
Tcmid
7817
Pub Chem
5355469
Tcmbank
TCMBANKIN042913
Etcm Ingredient
Flavokawain A
Itcmdb Generated
ITX-INGREDIENT-86664544FBBF
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H18O5/c1-21-13-7-4-12(5-8-13)6-9-15(19)18-16(20)10-14(22-2)11-17(18)23-3/h4-11,20H,1-3H3/b9-6+
Mol Wt
314.337
Mol Log P
3.314100000000002
In Ch Ikey
CGIBCVBDFUTMPT-RMKNXTFCSA-N
Tcm Name
长叶哥纳香
Tcm Name2
CHANG YE GE NA XIANG
Mol2 Path
/TCM_database/2007_3d_all/07818.mol2
Reference
5096
Num Hdonors
1
Tcm Name En
Longleaf Goniothalamus
Drug Likeness
0.654
Num Hacceptors
5
Isomeric Smiles
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OC)OC)O
Canonical Smiles
COC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2OC)OC)O
Herb Alias Names
3420-72-22'-Hydroxy-4,4',6'-trimethoxychalcone37951-13-6flavokavin A(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one64680-84-84-Methoxyflavokawain BFLAVOKAVAIN A(P)8OM2XZ2ZM3
Molecular Weight
314.120
Molecular Weight
314.3 g/mol
Molecular Formula
C18H18O5
Molecular Formula
C18H18O5
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.833
Quantitative Estimate Of Drug Likeness（Qed）
0.654