Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 37989
- Core Entity Id
- 60907
- Source Entity Count
- 1
- Preferred Name
- 1,2-bis(2,4,5-trimethoxy-z-styryl)cyclobutane
- Name En
- Pubchem Id
- 101113418
- Smiles Canonical
- COC1=CC(=C(C=C1C=CC2CCC2C=CC3=CC(=C(C=C3OC)OC)OC)OC)OC
- Molecular Formula
- C26H32O6
- Molecular Weight
- 440.5360
- Inchikey
- QVUVDTBUZRSEJI-HWAYABPNSA-N
- Inchi
- InChI=1S/C26H32O6/c1-27-21-15-25(31-5)23(29-3)13-19(21)11-9-17-7-8-18(17)10-12-20-14-24(30-4)26(32-6)16-22(20)28-2/h9-18H,7-8H2,1-6H3/b11-9-,12-10-
- Isomeric Smiles
- COC1=CC(=C(C=C1/C=C\C2C(CC2)/C=C\C3=CC(=C(C=C3OC)OC)OC)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 5.4910
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 10
- Drug Likeness
- 0.4870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,2-bis(2,4,5-Trimethoxy-Z-styryl)cyclobutane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,2-bis(2,4,5-trimethoxy-z-styryl)cyclobutane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,2-bis(2,4,5-trimethoxy-z-styryl)cyclobutane
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
Aliases
Additional names normalized into the restored final schema.
扇山姜SHAN SHAN JIANGFlabellate Galangal*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN000763
Tcmid
21916
Pub Chem
101113418
Tcmbank
TCMBANKIN011571
Itcmdb Generated
ITX-INGREDIENT-B0DF245FD99B
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H32O6/c1-27-21-15-25(31-5)23(29-3)13-19(21)11-9-17-7-8-18(17)10-12-20-14-24(30-4)26(32-6)16-22(20)28-2/h9-18H,7-8H2,1-6H3/b11-9-,12-10-
Mol Wt
440.5360000000003
Mol Log P
5.491000000000005
In Ch Ikey
QVUVDTBUZRSEJI-HWAYABPNSA-N
Tcm Name
扇山姜
Tcm Name2
SHAN SHAN JIANG
Mol2 Path
/TCM_database/2007_3d_all/21932.mol2
Reference
5122
Num Hdonors
0
Tcm Name En
Flabellate Galangal*
Drug Likeness
0.487
Num Hacceptors
6
Isomeric Smiles
COC1=CC(=C(C=C1/C=C\C2C(CC2)/C=C\C3=CC(=C(C=C3OC)OC)OC)OC)OC
Canonical Smiles
COC1=CC(=C(C=C1C=CC2CCC2C=CC3=CC(=C(C=C3OC)OC)OC)OC)OC
Molecular Formula
C26H32O6
Num Rotatable Bonds
10