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Molecule Identifiers
Molecular Properties

ID: 83182

SMILES:
c1(C=O)cc2c(cc1O)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -17.81

InChIKey:
CLZZKMPGTDWPPM-UHFFFAOYSA-N

ID: 83183

SMILES:
CC1(CO)Oc2cc(C)cc(O)c2C(CO)=C1CC(=O)C(C)CC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.412

CB1 binding score: -18.481

InChIKey:
DTVHJSGJDJJZFK-UHFFFAOYSA-N

ID: 83184

SMILES:
O=C1C2C(C)(CC(=O)CC2(C)C)Oc2c(cc(CCCC)cc2O)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -11.953

InChIKey:
VJLQYVAGAIDDFI-UHFFFAOYSA-N

ID: 83185

SMILES:
C(CC(=CCc1cc(O)cc(CC(OC)C)c1O)C)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.438

InChIKey:
CUSMZHFWXNWKQB-UHFFFAOYSA-N

ID: 83186

SMILES:
C1=C(C)CC2C(C(C)(C)Oc3ccccc32)CCC(C)=CC1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -14.492

InChIKey:
YNPKTBLBBPTZPG-UHFFFAOYSA-N

ID: 83187

SMILES:
C(CC)CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 83188

SMILES:
CC1(C)Oc2cc(CCC)ccc2C2C1C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 216.324

CB1 binding score: -18.052

InChIKey:
FIVDWSJSDBSEMM-UHFFFAOYSA-N

ID: 83189

SMILES:
c1(OC)cc(CCCCC)cc2c1C1C(O2)C(C)(C=CC=C(C)C)OC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -14.605

InChIKey:
DRRFEAKMBGTYHH-UHFFFAOYSA-N

ID: 83190

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 83191

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(C)O2)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -19.296

InChIKey:
GEMPDHCIWOATES-UHFFFAOYSA-N

ID: 83192

SMILES:
CC12C(CCC=C1C)C(C)(Cc1cc(OC(=O)C)c(OC(C)=O)c(OC(C)=O)c1)C(C)C(OC(=O)C)C2=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 528.598

CB1 binding score: -14.658

InChIKey:
DVBCUVUFNJUKHF-UHFFFAOYSA-N

ID: 83193

SMILES:
CC(=CCCC(C)=CCc1c(O)cc(CCc2ccccc2)cc1O)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.621

CB1 binding score: -19.13

InChIKey:
IWSASXREQYAISF-UHFFFAOYSA-N

ID: 83194

SMILES:
c1(C(C(=O)C(CC)C)C)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.116

InChIKey:
QNMYWYKJZPTUEK-UHFFFAOYSA-N

ID: 83195

SMILES:
C(=C(C)C)C1C23Oc4c(c(O)c(C(=O)O)c(CCCCC)c4)C1(C(C)(C)C(OC(=O)C)C2)OC3=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 486.561

CB1 binding score: -16.639

InChIKey:
DKAJQRAXZHPTRE-UHFFFAOYSA-N

ID: 83196

SMILES:
C(CCC)Cc1cc(O)c2c(c1O)OC(C)(C)C1C2CC(C)=CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.226

InChIKey:
ZTIKXHIGZPTABS-UHFFFAOYSA-N

ID: 83197

SMILES:
C(C1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CC(C)=CCC2)(OCC)CC(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.641

CB1 binding score: -13.6

InChIKey:
KLOWAOZKCPJYNH-UHFFFAOYSA-N

ID: 83198

SMILES:
c12c(cc(CCN(C)C)cc1O)OC1(C)C3C2OC(C)(C)C3CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 331.456

CB1 binding score: -17.267

InChIKey:
LXINVABHVUUFBQ-UHFFFAOYSA-N

ID: 83199

SMILES:
C1CC=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -16.556

InChIKey:
ADTDKLWPXAADOC-UHFFFAOYSA-N

ID: 83200

SMILES:
C12(C)CCC3C(C)(C)Oc4cc(C(C)C)cc(c43)C1CC(O)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -13.113

InChIKey:
ORWQTPBETNJDFG-UHFFFAOYSA-N

ID: 83201

SMILES:
c1(C(OC)C)c2c(c(C(=O)C)c(OCCCCC)c1)OC(C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.482

CB1 binding score: -16.438

InChIKey:
YQHHMOITTLVTDK-UHFFFAOYSA-N

ID: 83202

SMILES:
c1c(CCCCCCCC)cc2c(c1O)OC(CCC=C(C)C)(C)C(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.565

CB1 binding score: -15.929

InChIKey:
MVFXPWAOVBFKDQ-UHFFFAOYSA-N

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83182–83202 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