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
- 48575
- Core Entity Id
- 91586
- Source Entity Count
- 1
- Preferred Name
- 3-Epi-Β-Amyrin
- Name En
- Pubchem Id
- 225688
- Smiles Canonical
- CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C
- Molecular Formula
- C30H50O
- Molecular Weight
- 426.7200
- Inchikey
- FSLPMRQHCOLESF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3
- Isomeric Smiles
- Cas Id
- 6811-63-8
- Ob Score
- 11.7187
- Mol Logp
- 9.0000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 20.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Epi-Β-Amyrin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-epi-β-amyrin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-epi-β-amyrin
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN028859
Etcm Ingredient
3-epi-β-amyrin
Itcmdb Generated
ITX-INGREDIENT-A5B819E44BFC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
11.71871511.71871521
Suppress
0
Molecule Weight
426.8
Molecular Weight
426.390
Molecular Weight
426.72
Molecular Formula
C30H50O
Molecular Formula
C30H50O
Fda Maximum Daily Dose (Fdamdd)
0.952
Quantitative Estimate Of Drug Likeness（Qed）
0.387