Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 5Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70409
- Core Entity Id
- 133058
- Source Entity Count
- 1
- Preferred Name
- B-Mangostin
- Name En
- Pubchem Id
- 5495925
- Smiles Canonical
- CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C=C(C(=C3CC=C(C)C)OC)O)OC)C
- Molecular Formula
- C25H28O6
- Molecular Weight
- 424.1900
- Inchikey
- YRKKJHJIWCRNCW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C25H28O6/c1-13(2)7-9-15-18(29-5)12-20-22(23(15)27)24(28)21-16(10-8-14(3)4)25(30-6)17(26)11-19(21)31-20/h7-8,11-12,26-27H,9-10H2,1-6H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 6.6000
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 85.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
B-Mangostin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
B-Mangostin
Itcmdb Generated
ITX-INGREDIENT-156593FCBAFB
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
424.190
Molecular Formula
C25H28O6
Fda Maximum Daily Dose (Fdamdd)
0.227
Quantitative Estimate Of Drug Likeness（Qed）
0.398