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Molecule Identifiers
Molecular Properties

ID: 73774

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2)C(O)C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -15.928

InChIKey:
OOORPLWTVTUHBZ-UHFFFAOYSA-N

ID: 73775

SMILES:
O(C(c1ccccc1)=O)C1C2C(C)(C)Oc3c(c(OC)cc(CCCCC)c3)C2C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.603

CB1 binding score: -15.219

InChIKey:
UWOADIJTRDCNLF-UHFFFAOYSA-N

ID: 73776

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1=CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -17.484

InChIKey:
SFQCHTBSAMCNBB-UHFFFAOYSA-N

ID: 73777

SMILES:
C1=C2CCC(C(C)C)C(c3c(O)cc(CCCCC)cc3O2)CC1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -13.811

InChIKey:
PZMLCTIIZVHBOX-UHFFFAOYSA-N

ID: 73778

SMILES:
C(c1c2c(c(O)c(O)c1)CC(=O)C(C)(C)O2)CC(C)(CCCC(C)C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.482

CB1 binding score: -16.467

InChIKey:
DSODEDNSPZAWOU-UHFFFAOYSA-N

ID: 73779

SMILES:
C(c1c(CCCCC)cc(O)c(CC=C(C)CCC=C(C)C)c1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.302

InChIKey:
WDHICYLWEAZMNP-UHFFFAOYSA-N

ID: 73780

SMILES:
C(CC)Cc1cc(O)c(C2OC(C(O)(C)C#CC=C(C)C)C(Cl)C2=O)cc1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.907

CB1 binding score: -15.969

InChIKey:
OEWULUGNCTUFLV-UHFFFAOYSA-N

ID: 73781

SMILES:
C1(C)=CC(c2c(OC(C)=O)c(Cl)c(C)cc2O)C(C(CCC=C(CO)C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.977

CB1 binding score: -9.659

InChIKey:
AALIMESMBHOOKG-UHFFFAOYSA-N

ID: 73782

SMILES:
c12c(cc(CCCCC)cc1)OC1(C2)C2(C)CCC(C1)C2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -15.526

InChIKey:
FTFQPJSWJKNMKV-UHFFFAOYSA-N

ID: 73783

SMILES:
O1c2c(cc(C)c(CCCCC)c2)C=CC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.378

CB1 binding score: -17.241

InChIKey:
XEMBSRSWYFEPGN-UHFFFAOYSA-N

ID: 73784

SMILES:
C1=C(C)CC2C(C1)C(C)(C)Oc1cc(C(OC)=O)ccc12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -17.147

InChIKey:
NMPJNKRSBQFGBZ-UHFFFAOYSA-N

ID: 73785

SMILES:
C(C)(C=CCCC)Cc1cc2c(c(O)c1)C1C(C(O)(C)CCC1C(C)=C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.878

InChIKey:
YRQHYZUYKWEBBW-UHFFFAOYSA-N

ID: 73786

SMILES:
C(Cc1cc2c(c(O)c1)C1(O)C(=O)CC(C(C)(C)O1)C2)C(C)(O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.412

CB1 binding score: -15.877

InChIKey:
KCZZPLJFOTYVQA-UHFFFAOYSA-N

ID: 73787

SMILES:
C1C2C(c3c(O)cc(CCC)cc3OC2(C)C)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 73788

SMILES:
CC1=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC=CCC)c3)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -16.837

InChIKey:
KDZDIEFQASBXQA-UHFFFAOYSA-N

ID: 73789

SMILES:
C(=CC(OC)=O)C(O)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.416

CB1 binding score: Not available

InChIKey:
PZYZFLKJQPQDFC-UHFFFAOYSA-N

ID: 73790

SMILES:
C1C(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 73791

SMILES:
C1(O)C(C(=C)C)Cc2c(CCCCCCCCCC)cccc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -14.041

InChIKey:
ZFUSHBKDDUDDKR-UHFFFAOYSA-N

ID: 73792

SMILES:
CC1(C)C(=O)C(c2c(O)cc(CCCCC)cc2O)CC(C)=C1C#CC(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.528

CB1 binding score: -15.479

InChIKey:
QJDOLNJUBDWSTN-UHFFFAOYSA-N

ID: 73793

SMILES:
C1(O)CC2C(c3c(cc(CCCCC)c(C(=O)O)c3O)OC2(C)C)CC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -15.382

InChIKey:
SUQLALCBXJECOW-UHFFFAOYSA-N

ID: 73794

SMILES:
C1(C)(C)C2C(c3c(O)cc(CCCCCO)cc3OC(C)(C)C(O)C2)CC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.591

CB1 binding score: -14.363

InChIKey:
DLXJIVYKJKBQOZ-UHFFFAOYSA-N

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73774–73794 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