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
- 35650
- Core Entity Id
- 42814
- Source Entity Count
- 1
- Preferred Name
- Trichurusin e
- Name En
- Pubchem Id
- 11190174
- Smiles Canonical
- CC(CC(C)C1C(C=CC(=O)O1)OC(=O)C=CC(=CC(CCO)CO)C)CC(C)(C=C)O
- Molecular Formula
- C25H38O7
- Molecular Weight
- 450.5720
- Inchikey
- WWPCIPLSEBENOX-RRYROPAKSA-N
- Inchi
- InChI=1S/C25H38O7/c1-6-25(5,30)15-18(3)13-19(4)24-21(8-10-23(29)32-24)31-22(28)9-7-17(2)14-20(16-27)11-12-26/h6-10,14,18-21,24,26-27,30H,1,11-13,15-16H2,2-5H3/b9-7+,17-14+
- Isomeric Smiles
- CC(CC(C)C1C(C=CC(=O)O1)OC(=O)/C=C/C(=C/C(CCO)CO)/C)CC(C)(C=C)O
- Cas Id
- Ob Score
- Mol Logp
- 2.8626
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 13
- Drug Likeness
- 0.1710
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Trichurusin E
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Trichurusin e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Trichurusin e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
毛束霉
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MAO SHU MEI
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
毛束霉MAO SHU MEI
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN046953
Tcmid
21566
Pub Chem
11190174
Tcmbank
TCMBANKIN049217
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H38O7/c1-6-25(5,30)15-18(3)13-19(4)24-21(8-10-23(29)32-24)31-22(28)9-7-17(2)14-20(16-27)11-12-26/h6-10,14,18-21,24,26-27,30H,1,11-13,15-16H2,2-5H3/b9-7+,17-14+
Mol Wt
450.5720000000003
Mol Log P
2.862600000000002
In Ch Ikey
WWPCIPLSEBENOX-RRYROPAKSA-N
Tcm Name
毛束霉
Tcm Name2
MAO SHU MEI
Mol2 Path
/TCM_database/2007_3d_all/21582.mol2
Reference
4491
Num Hdonors
3
Drug Likeness
0.171
Num Hacceptors
7
Isomeric Smiles
CC(CC(C)C1C(C=CC(=O)O1)OC(=O)/C=C/C(=C/C(CCO)CO)/C)CC(C)(C=C)O
Canonical Smiles
CC(CC(C)C1C(C=CC(=O)O1)OC(=O)C=CC(=CC(CCO)CO)C)CC(C)(C=C)O
Molecular Weight
450.6 g/mol
Molecular Formula
C25H38O7
Num Rotatable Bonds
13