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Chemical structure of Phaeocaulisin E

GC69695

Phaeocaulisin E

Also known as (3S,3aS,8S,8aR)-3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one

Phaeocaulisin E (Compound 5) is a diterpenoid with a yuankanane skeleton that can inhibit LPS-induced NO production in RAW 264·7 macrophages, with an IC50 of 10·3 μM

ChemicalCAS1443040-31-0MW252.35FormulaC15H24O3
CAS number
1443040-31-0
Molecular weight
252.35
Formula
C15H24O3
InChIKey
TXIKNNOOLCGADE-DHMWGJHJSA-N
Catalogue number
GC69695
Brand
GLPBIO
Computed properties PubChem CID 14633000 · XLogP 1.6 · TPSA 57.5 Ų · H-bond donors 2
XLogP
1.6
TPSA
57.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
18

SMILES CC(=C1C[C@H]2[C@@H](CC[C@]2(C)O)[C@@](CC1=O)(C)O)C

Computed descriptors from PubChem (CID 14633000), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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