Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28286
- Core Entity Id
- 34626
- Source Entity Count
- 1
- Preferred Name
- Odoratin iii*
- Name En
- Pubchem Id
- 6253276
- Smiles Canonical
- COC1=CC=C(C=C1)C=CC(=O)C2=C(C(=C(C=C2O)OC)OC)OC
- Molecular Formula
- C19H20O6
- Molecular Weight
- 344.3630
- Inchikey
- FRISOFZUHCOQEC-JXMROGBWSA-N
- Inchi
- InChI=1S/C19H20O6/c1-22-13-8-5-12(6-9-13)7-10-14(20)17-15(21)11-16(23-2)18(24-3)19(17)25-4/h5-11,21H,1-4H3/b10-7+
- Isomeric Smiles
- COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=C(C=C2O)OC)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.3227
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.6130
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Odoratin III*
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Odoratin iii*
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Odoratin iii*
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
飞机草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
FEI JI CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Fragrant Eupatorium
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(E)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2'-hydroxy-4,4',5',6'-tetramethoxychalcone
Role
alias
Source
HERB_v2
Preferred
No
Name
2'-hydroxy-4,4',5',6'-tetramethoxychalcone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3877-67-6
Role
alias
Source
HERB_v2
Preferred
No
Name
3877-67-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
41929-26-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
41929-26-4
Role
alias
Source
HERB_v2
Preferred
No
Name
6'-Hydroxy-4,2',3',4'-tetramethoxychalcone
Role
alias
Source
HERB_v2
Preferred
No
Name
6'-Hydroxy-4,2',3',4'-tetramethoxychalcone
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2208193
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2208193
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC271637
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC271637
Role
alias
Source
itcmdb_public
Preferred
No
Name
Odoratin (Eupatorium)
Role
alias
Source
HERB_v2
Preferred
No
Name
Odoratin (Eupatorium)
Role
alias
Source
itcmdb_public
Preferred
No
Name
SARS-CoV-2 3CLpro-IN-23
Role
alias
Source
itcmdb_public
Preferred
No
Name
SARS-CoV-2 3CLpro-IN-23
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL738714
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL738714
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
飞机草FEI JI CAOFragrant Eupatorium(E)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one2'-hydroxy-4,4',5',6'-tetramethoxychalcone3877-67-641929-26-46'-Hydroxy-4,2',3',4'-tetramethoxychalconeCHEMBL2208193NSC271637Odoratin (Eupatorium)SARS-CoV-2 3CLpro-IN-23SCHEMBL738714
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037831
Npass
NPC265045
Tcmid
15983
Pub Chem
6253276
Tcmbank
TCMBANKIN039772
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H20O6/c1-22-13-8-5-12(6-9-13)7-10-14(20)17-15(21)11-16(23-2)18(24-3)19(17)25-4/h5-11,21H,1-4H3/b10-7+
Mol Wt
344.3630000000001
Mol Log P
3.322700000000001
In Ch Ikey
FRISOFZUHCOQEC-JXMROGBWSA-N
Tcm Name
飞机草
Tcm Name2
FEI JI CAO
Mol2 Path
/TCM_database/2007_3d_all/15993.mol2
Reference
2896, 2897
Num Hdonors
1
Tcm Name En
Fragrant Eupatorium
Drug Likeness
0.613
Num Hacceptors
6
Isomeric Smiles
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=C(C=C2O)OC)OC)OC
Canonical Smiles
COC1=CC=C(C=C1)C=CC(=O)C2=C(C(=C(C=C2O)OC)OC)OC
Herb Alias Names
2'-hydroxy-4,4',5',6'-tetramethoxychalcone3877-67-6(E)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-oneNSC271637CHEMBL2208193SARS-CoV-2 3CLpro-IN-236'-Hydroxy-4,2',3',4'-tetramethoxychalconeOdoratin (Eupatorium)41929-26-4SCHEMBL738714
Molecular Formula
C19H20O6
Num Rotatable Bonds
7