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Compound Detail

CHEMBL2023377

ELAEOCARPUCIN B
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C=C(C)[C@@H](O)[C@H]1C[C@](C)(O)[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2023377
Name ELAEOCARPUCIN B
Phase Preclinical
Structure Type MOL
InChI Key JRJRXOXXSPJQTA-YOHOQZJISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

486.7
MW (Da)
4.59
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H46O5
MW 486.69
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 3.45

Literature References

PubMed DOI Target Context # Activities
22239601 10.1021/np200879p HT-29 2

Data from ChEMBL 36 via Core Engine