Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 46511
- Core Entity Id
- 89522
- Source Entity Count
- 1
- Preferred Name
- Samogenin
- Name En
- Pubchem Id
- 12304415
- Smiles Canonical
- CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)O)O)C)C)C)OC1
- Molecular Formula
- C27H44O4
- Molecular Weight
- 432.6000
- Inchikey
- FWCXELAAYFYCSR-FFGGPZRUSA-N
- Inchi
- InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17-,18-,19-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 5.5000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 58.9000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Samogenin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Agave yuccaefolia
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Agave yuccaefolia
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN022016
Itcmdb Generated
ITX-INGREDIENT-AECB869971A6
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name2
Agave yuccaefolia
Mol2 Path
/TCM_database/2007_3d_all/19230.mol2
Reference
2503