EcoDrugPlus


Synonyms	Iso-fludelone Kosn-1724
Status
Molecule Category	Free-form
UNII	6MUO20693U

Synonyms

Iso-fludelone

Kosn-1724

Status

Molecule Category

Free-form

UNII

6MUO20693U


InChI Key	JAYGOFBXDFAXBW-CYEKYUJNSA-N
Smiles	C/C1=C/C[C@@H](/C(C)=C/c2cc(C)on2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C1
InChI	InChI=1S/C27H39NO6/c1-16-9-8-10-17(2)25(31)20(5)26(32)27(6,7)23(29)15-24(30)33-22(12-11-16)18(3)13-21-14-19(4)34-28-21/h8,10-11,13-14,17,20,22-23,25,29,31H,9,12,15H2,1-7H3/b10-8-,16-11-,18-13+/t17-,20+,22-,23-,25-/m0/s1

InChI Key

JAYGOFBXDFAXBW-CYEKYUJNSA-N

Smiles

C/C1=C/C[C@@H](/C(C)=C/c2cc(C)on2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C1

InChI

InChI=1S/C27H39NO6/c1-16-9-8-10-17(2)25(31)20(5)26(32)27(6,7)23(29)15-24(30)33-22(12-11-16)18(3)13-21-14-19(4)34-28-21/h8,10-11,13-14,17,20,22-23,25,29,31H,9,12,15H2,1-7H3/b10-8-,16-11-,18-13+/t17-,20+,22-,23-,25-/m0/s1

Property Name	Value
Molecular Formula	C27H39NO6
Molecular Weight	473.61
AlogP	4.57
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	109.86
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	34.0

Property Name

Value

Molecular Formula

C27H39NO6

Molecular Weight

473.61

AlogP

4.57

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

109.86

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

34.0

Resources	Reference
ChEMBL	CHEMBL4297393
DrugBank	DB13078
FDA SRS	6MUO20693U
PubChem	71587784

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

KOSN-1724

Structure

Physicochemical Descriptors

Cross References