EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
EPA CompTox	DTXSID10447129

Keyword(s):

Natural Toxins

Molecule Category

Free-form

EPA CompTox

DTXSID10447129


InChI Key	IRZWAJHUWGZMMT-DJLDLDEBSA-N
Smiles	CC1=CC[C@H]2[C@@H](O)[C@@H]1C2(C)C
InChI	InChI=1S/C10H16O/c1-6-4-5-7-9(11)8(6)10(7,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9+/m0/s1

InChI Key

IRZWAJHUWGZMMT-DJLDLDEBSA-N

Smiles

CC1=CC[C@H]2[C@@H](O)[C@@H]1C2(C)C

InChI

InChI=1S/C10H16O/c1-6-4-5-7-9(11)8(6)10(7,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9+/m0/s1

Property Name	Value
Molecular Formula	C10H16O
Molecular Weight	152.12
AlogP	1.97
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	20.23
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C10H16O

Molecular Weight

152.12

AlogP

1.97

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

20.23

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	38043-83-3
NORMAN SUSDAT
PubChem	1088100
ChemSpider	9063364.0

Resources

Reference

CAS NUMBER

38043-83-3

NORMAN SUSDAT

PubChem

1088100

ChemSpider

9063364.0

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, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

BICYCLO[3.1.1]HEPT-2-EN-6-OL, 2,7,7-TRIMETHYL-, (1S,5R,6R)-

Structure

Physicochemical Descriptors

Cross References