ITCMDBv1
IngredientID 35458

(±)-trans-3-(2,4,5-trimethoxyphenyl)-4-[(e)-2,4,5-trimethoxystyryl]-cyclohexene

C26H32O6

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Herb: 1Ingredient: 1Links: 1
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
35458
Core Entity Id
42602
Source Entity Count
1
Preferred Name
(±)-trans-3-(2,4,5-trimethoxyphenyl)-4-[(e)-2,4,5-trimethoxystyryl]-cyclohexene
Name En
Pubchem Id
21668968
Smiles Canonical
COC1=CC(=C(C=C1C=CC2CCC=CC2C3=CC(=C(C=C3OC)OC)OC)OC)OC
Molecular Formula
C26H32O6
Molecular Weight
440.5360
Inchikey
IPDBDETUKDCSOI-FEFOKTNTSA-N
Inchi
InChI=1S/C26H32O6/c1-27-21-15-25(31-5)23(29-3)13-18(21)12-11-17-9-7-8-10-19(17)20-14-24(30-4)26(32-6)16-22(20)28-2/h8,10-17,19H,7,9H2,1-6H3/b12-11+/t17-,19-/m1/s1
Isomeric Smiles
COC1=CC(=C(C=C1/C=C/[C@H]2CCC=C[C@H]2C3=CC(=C(C=C3OC)OC)OC)OC)OC
Cas Id
Ob Score
Mol Logp
5.5014
Num H Donors
0
Num H Acceptors
6
Num Rotatable Bonds
9
Drug Likeness
0.4800
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
(±)-trans-3-(2,4,5-Trimethoxyphenyl)-4-[(E)-2,4,5-trimethoxystyryl]- cyclohexene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(±)-trans-3-(2,4,5-trimethoxyphenyl)-4-[(e)-2,4,5-trimethoxystyryl]-cyclohexene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(±)-trans-3-(2,4,5-trimethoxyphenyl)-4-[(e)-2,4,5-trimethoxystyryl]-cyclohexene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
扇山姜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHAN SHAN JIANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Flabellate Galangal*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+/-)-cis-3-(2,4,5-trimethoxyphenyl)-4-[(e)-2,4,5-trimethoxystyryl]cyclohex-1-ene
Role
alias
Source
HERB_v2
Preferred
No
Name
(+/-)-cis-3-(2,4,5-trimethoxyphenyl)-4-[(e)-2,4,5-trimethoxystyryl]cyclohex-1-ene
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(±)-trans-3-(2,4,5-Trimethoxyphenyl)-4-[(E)-2,4,5-trimethoxystyryl]- cyclohexene扇山姜SHAN SHAN JIANGFlabellate Galangal*(+/-)-cis-3-(2,4,5-trimethoxyphenyl)-4-[(e)-2,4,5-trimethoxystyryl]cyclohex-1-ene

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN046669
Tcmid
21915
Pub Chem
21668968
Tcmbank
TCMBANKIN005506
Itcmdb Generated
ITX-INGREDIENT-C7EDC2D13044

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C26H32O6/c1-27-21-15-25(31-5)23(29-3)13-18(21)12-11-17-9-7-8-10-19(17)20-14-24(30-4)26(32-6)16-22(20)28-2/h8,10-17,19H,7,9H2,1-6H3/b12-11+/t17-,19-/m1/s1
Mol Wt
440.5360000000003
Mol Log P
5.501400000000005
In Ch Ikey
IPDBDETUKDCSOI-FEFOKTNTSA-N
Tcm Name
扇山姜
Tcm Name2
SHAN SHAN JIANG
Mol2 Path
/TCM_database/2007_3d_all/21931.mol2
Reference
1884
Num Hdonors
0
Tcm Name En
Flabellate Galangal*
Drug Likeness
0.48
Num Hacceptors
6
Isomeric Smiles
COC1=CC(=C(C=C1/C=C/[C@H]2CCC=C[C@H]2C3=CC(=C(C=C3OC)OC)OC)OC)OC
Canonical Smiles
COC1=CC(=C(C=C1C=CC2CCC=CC2C3=CC(=C(C=C3OC)OC)OC)OC)OC
Herb Alias Names
(+/-)-cis-3-(2,4,5-trimethoxyphenyl)-4-[(e)-2,4,5-trimethoxystyryl]cyclohex-1-ene
Molecular Formula
C26H32O6
Num Rotatable Bonds
9