Browse

Molecule Identifiers
Molecular Properties

ID: 118147

SMILES:
C1CC(C(C)C)C(c2c(O)cc(CCCCC)cc2OC)CC1(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.527

CB1 binding score: -16.213

InChIKey:
DZTXSEIFUHUSSA-UHFFFAOYSA-N

ID: 118148

SMILES:
c1(CCCCC)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -15.287

InChIKey:
GEDIQMPFNNJVFH-UHFFFAOYSA-N

ID: 118149

SMILES:
C1(C)C(C(O)CC2(C)C=Cc3c(CO)cc(O)cc3O2)CC(CCC=C(C)C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -15.041

InChIKey:
SYIYFKFZOHQTOW-UHFFFAOYSA-N

ID: 118150

SMILES:
CC1(C)C(c2c(O)cc(CCCc3ccccc3)cc2OC)CCC1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.518

CB1 binding score: -15.929

InChIKey:
PDXMLWJLVPCNEX-UHFFFAOYSA-N

ID: 118151

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1=C(C(C)(CCC=C(C)C)O1)C(=O)C(C)=C2OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -14.047

InChIKey:
QIMMIEPJLFAFNX-UHFFFAOYSA-N

ID: 118152

SMILES:
c1(CC=C(CCC(O)C(C)=C)C)c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.706

CB1 binding score: -13.176

InChIKey:
IVNPXIBSJZHJBC-UHFFFAOYSA-N

ID: 118153

SMILES:
C1C2(C)Oc3c1c(O)cc(CCCCC)c3C(CO)(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -15.293

InChIKey:
YLRPXAXCMBNWQD-UHFFFAOYSA-N

ID: 118154

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)C=C12)CCCCC=CCC=CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.707

CB1 binding score: -13.452

InChIKey:
BOIPVAWTOSJSBM-UHFFFAOYSA-N

ID: 118155

SMILES:
c1(C=CC=O)cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.382

CB1 binding score: -18.306

InChIKey:
IXXXCXNWKKYCGK-UHFFFAOYSA-N

ID: 118156

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2CCC(CO)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.959

InChIKey:
ZQYICDSKJWGPKT-UHFFFAOYSA-N

ID: 118157

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 118158

SMILES:
Oc1cc(CCCCC)cc2c1C1C(O)C(C)(O)CCC1(C(C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -15.929

InChIKey:
RAGJCIOTMJNBNK-UHFFFAOYSA-N

ID: 118159

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 118160

SMILES:
C(CCc1cc2c(c(OC)c1)C1CC(C(C)=C)CCC1(C)O2)(=O)C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -14.597

InChIKey:
JCUWXVFTJIMBIN-UHFFFAOYSA-N

ID: 118161

SMILES:
CC(CCC=C(C)C)=CCCC(=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 428.613

CB1 binding score: -18.353

InChIKey:
QNRJPRFPLQBROG-UHFFFAOYSA-N

ID: 118162

SMILES:
CC(=O)C1=CC(O)C2(C)C1C1C(C)(C)Oc3c(c(O)cc(C)c3)C1CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -13.399

InChIKey:
HTZVRAKHLZNSMG-UHFFFAOYSA-N

ID: 118163

SMILES:
Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 118164

SMILES:
C1CC2C(C)(C)Oc3ccc(CO)cc3C2C=C1COC(C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -13.86

InChIKey:
UAYMYBWCHROOAW-UHFFFAOYSA-N

ID: 118165

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C2(C)C(=O)C1(C)C(=C)C(C)C2=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.494

CB1 binding score: -14.462

InChIKey:
NDVPPUOOVIVPKM-UHFFFAOYSA-N

ID: 118166

SMILES:
C(Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.609

InChIKey:
HAKUWGCTBUVNJQ-UHFFFAOYSA-N

ID: 118167

SMILES:
c1(C(OC)=O)cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -17.17

InChIKey:
IHMDCAXZLPLVQN-UHFFFAOYSA-N

◀5624562556265627562856295630▶
118147–118167 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties