Droxone

Name: Droxone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₉H₃₆O₄ — CID 5284538

💊View drug profile → algestone acetophenide

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(1R,2S,4R,6R,8S,9S,12S,13R)-8-acetyl-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one

SMILESCC(=O)[C@@]12O[C@](C)(c3ccccc3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C

InChIInChI=1S/C29H36O4/c1-18(30)29-25(32-28(4,33-29)19-8-6-5-7-9-19)17-24-22-11-10-20-16-21(31)12-14-26(20,2)23(22)13-15-27(24,29)3/h5-9,16,22-25H,10-15,17H2,1-4H3/t22-,23+,24+,25-,26+,27+,28-,29-/m1/s1

InChIKeyAHBKIEXBQNRDNL-FVCOMRFXSA-N

MW448.60 g/mol

LogP5.74

Rot. Bonds2

About Droxone

Droxone (PubChem CID 5284538) has the molecular formula C₂₉H₃₆O₄ and a molecular weight of 448.60 g/mol. Its IUPAC name is (1R,2S,4R,6R,8S,9S,12S,13R)-8-acetyl-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one.

Molecular Properties

Compound Name	Droxone
PubChem CID	5284538
Molecular Formula	C₂₉H₃₆O₄
Molecular Weight	448.60 g/mol
Exact Mass	448.26
IUPAC Name	(1R,2S,4R,6R,8S,9S,12S,13R)-8-acetyl-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
SMILES	CC(=O)[C@@]12O[C@](C)(c3ccccc3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
InChI	InChI=1S/C29H36O4/c1-18(30)29-25(32-28(4,33-29)19-8-6-5-7-9-19)17-24-22-11-10-20-16-21(31)12-14-26(20,2)23(22)13-15-27(24,29)3/h5-9,16,22-25H,10-15,17H2,1-4H3/t22-,23+,24+,25-,26+,27+,28-,29-/m1/s1
InChIKey	AHBKIEXBQNRDNL-FVCOMRFXSA-N
XLogP	5.74
TPSA	52.60 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.60
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Droxone?

The IUPAC name of Droxone (CID 5284538) is (1R,2S,4R,6R,8S,9S,12S,13R)-8-acetyl-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one.

What is the SMILES notation for Droxone?

The canonical SMILES for Droxone is CC(=O)[C@@]12O[C@](C)(c3ccccc3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C.

What is the InChIKey of Droxone?

The InChIKey is AHBKIEXBQNRDNL-FVCOMRFXSA-N. The full InChI is InChI=1S/C29H36O4/c1-18(30)29-25(32-28(4,33-29)19-8-6-5-7-9-19)17-24-22-11-10-20-16-21(31)12-14-26(20,2)23(22)13-15-27(24,29)3/h5-9,16,22-25H,10-15,17H2,1-4H3/t22-,23+,24+,25-,26+,27+,28-,29-/m1/s1.

What are the key properties of Droxone?

Droxone has a molecular weight of 448.60 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Droxone is sourced from PubChem (CID 5284538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: D · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 5284538 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 797 — approved-drug record (CC BY-SA 4.0)

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