ITCMDBv1
IngredientID 28739

Osajin

C25H24O5

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Herb: 6Ingredient: 1Target: 12Links: 18
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
28739
Core Entity Id
35129
Source Entity Count
1
Preferred Name
Osajin
Name En
Pubchem Id
95168
Smiles Canonical
CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=CO3)C4=CC=C(C=C4)O)C=CC(O2)(C)C)C
Molecular Formula
C25H24O5
Molecular Weight
404.4620
Inchikey
DCTLJGWMHPGCOS-UHFFFAOYSA-N
Inchi
InChI=1S/C25H24O5/c1-14(2)5-10-17-21(27)20-22(28)19(15-6-8-16(26)9-7-15)13-29-24(20)18-11-12-25(3,4)30-23(17)18/h5-9,11-13,26-27H,10H2,1-4H3
Isomeric Smiles
CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=CO3)C4=CC=C(C=C4)O)C=CC(O2)(C)C)C
Cas Id
Ob Score
Mol Logp
5.5641
Num H Donors
2
Num H Acceptors
5
Num Rotatable Bonds
3
Drug Likeness
0.5580
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Osajin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Osajin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Osajin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Osajin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Osajin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
豆科
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Euchresta spp. (Fabaceae)
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
3'-DEOXYPOMIFERIN
Role
alias
Source
HERB_v2
Preferred
No
Name
3'-DEOXYPOMIFERIN
Role
alias
Source
itcmdb_public
Preferred
No
Name
482-53-1
Role
alias
Source
HERB_v2
Preferred
No
Name
482-53-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
5'-O-DEMETHYLSCANDINONE
Role
alias
Source
HERB_v2
Preferred
No
Name
5'-O-DEMETHYLSCANDINONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
83R5N9X74B
Role
alias
Source
itcmdb_public
Preferred
No
Name
83R5N9X74B
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 21565
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 21565
Role
alias
Source
HERB_v2
Preferred
No
Name
OSAJIN [MI]
Role
alias
Source
itcmdb_public
Preferred
No
Name
OSAJIN [MI]
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-83R5N9X74B
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-83R5N9X74B
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

豆科Euchresta spp. (Fabaceae)3'-DEOXYPOMIFERIN482-53-15'-O-DEMETHYLSCANDINONE5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one83R5N9X74BNSC 21565OSAJIN [MI]UNII-83R5N9X74B

Cross References

Trusted external identifiers retained for this final record.

Hit
C0268
Herb
HBIN038369
Npass
NPC201731
Tcmid
16238
Sym Map
SMIT25889
Pub Chem
95168
Tcmbank
TCMBANKIN037856
Itcmdb Generated
ITX-INGREDIENT-C6C33C07863A

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C25H24O5/c1-14(2)5-10-17-21(27)20-22(28)19(15-6-8-16(26)9-7-15)13-29-24(20)18-11-12-25(3,4)30-23(17)18/h5-9,11-13,26-27H,10H2,1-4H3
Mol Wt
404.4620000000002
Mol Log P
5.564100000000005
Version
v2
In Ch Ikey
DCTLJGWMHPGCOS-UHFFFAOYSA-N
Suppress
0
Tcm Name
豆科
Tcm Name2
Euchresta spp. (Fabaceae)
Mol2 Path
/TCM_database/2007_3d_all/16249.mol2
Reference
1521, 2873
Num Hdonors
2
Drug Likeness
0.558
Num Hacceptors
5
Isomeric Smiles
CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=CO3)C4=CC=C(C=C4)O)C=CC(O2)(C)C)C
Canonical Smiles
CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=CO3)C4=CC=C(C=C4)O)C=CC(O2)(C)C)C
Herb Alias Names
482-53-13'-DEOXYPOMIFERINUNII-83R5N9X74B5'-O-DEMETHYLSCANDINONE5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one83R5N9X74BOSAJIN [MI]NSC 21565NSC-21565
Molecular Weight
404.5 g/mol
Molecular Formula
C25H24O5
Num Rotatable Bonds
3