EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	G8X8WT527W
EPA CompTox	DTXSID701020624

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

G8X8WT527W

EPA CompTox

DTXSID701020624


InChI Key	VWFJDQUYCIWHTN-YFVJMOTDSA-N
Smiles	CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C
InChI	InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+

InChI Key

VWFJDQUYCIWHTN-YFVJMOTDSA-N

Smiles

CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C

InChI

InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+

Property Name	Value
Molecular Formula	C15H28O7P2
Molecular Weight	382.13
AlogP	4.63
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	11.0
Polar Surface Area	113.29
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C15H28O7P2

Molecular Weight

382.13

AlogP

4.63

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

11.0

Polar Surface Area

113.29

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	372-97-4
NORMAN SUSDAT
FDA SRS	G8X8WT527W
PubChem	445713
ChemSpider	686.0

Resources

Reference

CAS NUMBER

372-97-4

NORMAN SUSDAT

FDA SRS

G8X8WT527W

PubChem

445713

ChemSpider

686.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

FARNESYL PYROPHOSPHATE

Structure

Physicochemical Descriptors

Cross References