ITCMDBv1
IngredientID 655

2',4,4'-trihydroxy-3'-geranylchalcone

C25H28O4

Back to Browse

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab
Herb: 2Ingredient: 1Reference: 1Target: 12Links: 15
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
655
Core Entity Id
3921
Source Entity Count
1
Preferred Name
2',4,4'-trihydroxy-3'-geranylchalcone
Name En
Pubchem Id
643007
Smiles Canonical
CC(=CCCC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=CC=C(C=C2)O)O)C)C
Molecular Formula
C25H28O4
Molecular Weight
392.4950
Inchikey
LRSMBOSQWGHYCW-MDGZPELGSA-N
Inchi
InChI=1S/C25H28O4/c1-17(2)5-4-6-18(3)7-13-21-24(28)16-14-22(25(21)29)23(27)15-10-19-8-11-20(26)12-9-19/h5,7-12,14-16,26,28-29H,4,6,13H2,1-3H3/b15-10+,18-7+
Isomeric Smiles
CC(=CCC/C(=C/CC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)/C)C
Cas Id
Ob Score
Mol Logp
5.9347
Num H Donors
3
Num H Acceptors
4
Num Rotatable Bonds
8
Drug Likeness
0.2950
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
2',4,4'-Trihydroxy-3'-geranylchalcone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2',4,4'-trihydroxy-3'-geranylchalcone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2',4,4'-trihydroxy-3'-geranylchalcone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
高贵波罗蜜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GAO GUI BO LUO MI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Noble Artocarpus*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2E)-1-(3-((2E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL)-2,4-DIHYDROXYPHENYL)-3-(4-HYDROXYPHENYL)-2-PROPEN-1-ONE
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E)-1-(3-((2E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL)-2,4-DIHYDROXYPHENYL)-3-(4-HYDROXYPHENYL)-2-PROPEN-1-ONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
62949-76-2
Role
alias
Source
HERB_v2
Preferred
No
Name
62949-76-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
91D4GN26Z1
Role
alias
Source
itcmdb_public
Preferred
No
Name
91D4GN26Z1
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS000574837
Role
alias
Source
itcmdb_public
Preferred
No
Name
MLS000574837
Role
alias
Source
HERB_v2
Preferred
No
Name
SMR000156234
Role
alias
Source
itcmdb_public
Preferred
No
Name
SMR000156234
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-91D4GN26Z1
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-91D4GN26Z1
Role
alias
Source
itcmdb_public
Preferred
No
Name
Xanthoangelol
Role
alias
Source
HERB_v2
Preferred
No
Name
Xanthoangelol
Role
alias
Source
itcmdb_public
Preferred
No
Name
xanthoangelol
Role
alias
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

高贵波罗蜜GAO GUI BO LUO MINoble Artocarpus*(2E)-1-(3-((2E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL)-2,4-DIHYDROXYPHENYL)-3-(4-HYDROXYPHENYL)-2-PROPEN-1-ONE(E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one(E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one62949-76-291D4GN26Z1MLS000574837SMR000156234UNII-91D4GN26Z1Xanthoangelol

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN004212HBIN048435
Npass
NPC266689
Tcmid
2172133431
Pub Chem
643007
Tcmbank
TCMBANKIN009250TCMBANKIN058826
Itcmdb Generated
ITX-INGREDIENT-5DD324D90D6C

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C25H28O4/c1-17(2)5-4-6-18(3)7-13-21-24(28)16-14-22(25(21)29)23(27)15-10-19-8-11-20(26)12-9-19/h5,7-12,14-16,26,28-29H,4,6,13H2,1-3H3/b15-10+,18-7+
Mol Wt
392.4950000000001
Smiles
CC(=CCCC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=CC=C(C=C2)O)O)C)C
Mol Log P
5.934700000000007
In Ch Ikey
LRSMBOSQWGHYCW-MDGZPELGSA-N
Tcm Name
高贵波罗蜜
Tcm Name2
GAO GUI BO LUO MI
Mol2 Path
/TCM_database/2007_3d_all/21737.mol2
Reference
3813
Num Hdonors
3
Tcm Name En
Noble Artocarpus*
Drug Likeness
0.295
Num Hacceptors
4
Isomeric Smiles
CC(=CCC/C(=C/CC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)O)/C)C
Canonical Smiles
CC(=CCCC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=CC=C(C=C2)O)O)C)C
Herb Alias Names
Xanthoangelol62949-76-2(E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one91D4GN26Z1UNII-91D4GN26Z1MLS000574837SMR000156234(2E)-1-(3-((2E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL)-2,4-DIHYDROXYPHENYL)-3-(4-HYDROXYPHENYL)-2-PROPEN-1-ONE(E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Molecular Weight
392.5 g/mol
Molecular Formula
C25H28O4
Molecular Formula
C25H28O4
Num Rotatable Bonds
8