ITCMDBv1
IngredientID 36092

Ugonin g

C25H26O6

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Herb: 1Ingredient: 1Links: 1
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
36092
Core Entity Id
43308
Source Entity Count
1
Preferred Name
Ugonin g
Name En
Pubchem Id
5324506
Smiles Canonical
CC1=CCCC(C1CC2=C(C3=C(C=C2O)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)(C)C
Molecular Formula
C25H26O6
Molecular Weight
422.4770
Inchikey
ZDMLVDJENNJFML-KRWDZBQOSA-N
Inchi
InChI=1S/C25H26O6/c1-13-5-4-10-25(2,3)17(13)11-16-18(27)12-19-20(21(16)28)22(29)23(30)24(31-19)14-6-8-15(26)9-7-14/h5-9,12,17,26-28,30H,4,10-11H2,1-3H3/t17-/m0/s1
Isomeric Smiles
CC1=CCCC([C@H]1CC2=C(C3=C(C=C2O)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)(C)C
Cas Id
Ob Score
Mol Logp
5.2074
Num H Donors
4
Num H Acceptors
6
Num Rotatable Bonds
3
Drug Likeness
0.4310
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Ugonin G
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ugonin g
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ugonin g
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
入地蜈蚣
Role
TCM_name
Source
TCMBank
Preferred
No
Name
RU DI WU GONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Ceylan Helminthostachys
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3,5,7,4'-Tetrahydroxy-6-(2,6,6-trimethyl-2-cyclohexenylmethyl)fl
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5,7,4'-Tetrahydroxy-6-(2,6,6-trimethyl-2-cyclohexenylmethyl)flavone
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5,7-Trihydroxy-2-(4-hydroxy-phenyl)-6-(2,6,6-trimethyl-cyclohex-2-enylmethyl)-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5,7-Trihydroxy-2-(4-hydroxy-phenyl)-6-(2,6,6-trimethyl-cyclohex-2-enylmethyl)-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-{[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]methyl}-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-{[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]methyl}-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-[[(1R)-2,6,6-trimethyl-2-cyclohexen-1-yl]methyl]-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-[[(1R)-2,6,6-trimethyl-2-cyclohexen-1-yl]methyl]-
Role
alias
Source
HERB_v2
Preferred
No
Name
InChI=1/C25H26O6/c1-13-5-4-10-25(2,3)17(13)11-16-18(27)12-19-20(21(16)28)22(29)23(30)24(31-19)14-6-8-15(26)9-7-14/h5-9,12,17,26-28,30H,4,10-11H2,1-3H
Role
alias
Source
itcmdb_public
Preferred
No
Name
InChI=1/C25H26O6/c1-13-5-4-10-25(2,3)17(13)11-16-18(27)12-19-20(21(16)28)22(29)23(30)24(31-19)14-6-8-15(26)9-7-14/h5-9,12,17,26-28,30H,4,10-11H2,1-3H
Role
alias
Source
HERB_v2
Preferred
No
Name
avone
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

入地蜈蚣RU DI WU GONGCeylan Helminthostachys3,5,7,4'-Tetrahydroxy-6-(2,6,6-trimethyl-2-cyclohexenylmethyl)fl3,5,7,4'-Tetrahydroxy-6-(2,6,6-trimethyl-2-cyclohexenylmethyl)flavone3,5,7-Trihydroxy-2-(4-hydroxy-phenyl)-6-(2,6,6-trimethyl-cyclohex-2-enylmethyl)-chromen-4-one3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-{[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]methyl}-4H-chromen-4-one4H-1-benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-[[(1R)-2,6,6-trimethyl-2-cyclohexen-1-yl]methyl]-InChI=1/C25H26O6/c1-13-5-4-10-25(2,3)17(13)11-16-18(27)12-19-20(21(16)28)22(29)23(30)24(31-19)14-6-8-15(26)9-7-14/h5-9,12,17,26-28,30H,4,10-11H2,1-3Havone

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN047468
Npass
NPC147426
Tcmid
22164
Pub Chem
5324506
Tcmbank
TCMBANKIN048931

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C25H26O6/c1-13-5-4-10-25(2,3)17(13)11-16-18(27)12-19-20(21(16)28)22(29)23(30)24(31-19)14-6-8-15(26)9-7-14/h5-9,12,17,26-28,30H,4,10-11H2,1-3H3/t17-/m0/s1
Mol Wt
422.4770000000001
Mol Log P
5.207400000000007
In Ch Ikey
ZDMLVDJENNJFML-KRWDZBQOSA-N
Tcm Name
入地蜈蚣
Tcm Name2
RU DI WU GONG
Mol2 Path
/TCM_database/2007_3d_all/22180.mol2
Reference
3484
Num Hdonors
4
Tcm Name En
Ceylan Helminthostachys
Drug Likeness
0.431
Num Hacceptors
6
Isomeric Smiles
CC1=CCCC([C@H]1CC2=C(C3=C(C=C2O)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)(C)C
Canonical Smiles
CC1=CCCC(C1CC2=C(C3=C(C=C2O)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)(C)C
Herb Alias Names
3,5,7,4'-Tetrahydroxy-6-(2,6,6-trimethyl-2-cyclohexenylmethyl)&#64258avone3,5,7-Trihydroxy-2-(4-hydroxy-phenyl)-6-(2,6,6-trimethyl-cyclohex-2-enylmethyl)-chromen-4-one3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-{[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]methyl}-4H-chromen-4-one4H-1-benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-[[(1R)-2,6,6-trimethyl-2-cyclohexen-1-yl]methyl]-InChI=1/C25H26O6/c1-13-5-4-10-25(2,3)17(13)11-16-18(27)12-19-20(21(16)28)22(29)23(30)24(31-19)14-6-8-15(26)9-7-14/h5-9,12,17,26-28,30H,4,10-11H2,1-3H
Molecular Weight
422.5 g/mol
Molecular Formula
C25H26O6
Num Rotatable Bonds
3