EcoDrugPlus


Synonyms	(-)-combretastatin (r)-(-)-combretastatin Combretastatin Combretastatin, (-)- NSC-348103
Status
Molecule Category	Free-form
UNII	7O62J06F18
EPA CompTox	DTXSID80897571

Synonyms

(-)-combretastatin

(r)-(-)-combretastatin

Combretastatin

Combretastatin, (-)-

NSC-348103

Status

Molecule Category

Free-form

UNII

7O62J06F18

EPA CompTox

DTXSID80897571


InChI Key	LGZKGOGODCLQHG-CYBMUJFWSA-N
Smiles	COc1ccc(C[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O
InChI	InChI=1S/C18H22O6/c1-21-15-6-5-11(8-14(15)20)7-13(19)12-9-16(22-2)18(24-4)17(10-12)23-3/h5-6,8-10,13,19-20H,7H2,1-4H3/t13-/m1/s1

InChI Key

LGZKGOGODCLQHG-CYBMUJFWSA-N

Smiles

COc1ccc(C[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O

InChI

InChI=1S/C18H22O6/c1-21-15-6-5-11(8-14(15)20)7-13(19)12-9-16(22-2)18(24-4)17(10-12)23-3/h5-6,8-10,13,19-20H,7H2,1-4H3/t13-/m1/s1

Property Name	Value
Molecular Formula	C18H22O6
Molecular Weight	334.37
AlogP	2.7
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	7.0
Polar Surface Area	77.38
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C18H22O6

Molecular Weight

334.37

AlogP

2.7

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

7.0

Polar Surface Area

77.38

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

24.0

Resources	Reference
ChEMBL	CHEMBL246600
DrugBank	DB12596
FDA SRS	7O62J06F18
PubChem	9895264
SureChEMBL	SCHEMBL19955
ZINC	ZINC000001607492

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

ZINC

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

COMBRETASTATIN

Structure

Physicochemical Descriptors

Cross References