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Molecule Identifiers
Molecular Properties

ID: 69217

SMILES:
C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)C3OC(=O)C(=CC)C3C2C(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.527

CB1 binding score: -16.748

InChIKey:
IJJCHYJOOKUJEW-UHFFFAOYSA-N

ID: 69218

SMILES:
C(Cc1cc(O)c(C2C(C(C)CCCC(C)C)OC(=O)C2)c(O)c1)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -13.274

InChIKey:
BPYCVTUQNRILGE-UHFFFAOYSA-N

ID: 69219

SMILES:
CCC(C(O)C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -14.777

InChIKey:
ZZGGVAAAUZNLQO-UHFFFAOYSA-N

ID: 69220

SMILES:
CC1(CCC=C(C)C)C=Cc2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 69221

SMILES:
C(C=C(CCC=C(C)C)C)C1C(C)(C)Oc2ccc(O)cc2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.907

InChIKey:
VVSSXFXFLJLNLZ-UHFFFAOYSA-N

ID: 69222

SMILES:
CC1=CCCC(C)=CC2C(C(C)(C)Oc3ccc(O)cc32)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -17.418

InChIKey:
SMXZKMWKWSEZRU-UHFFFAOYSA-N

ID: 69223

SMILES:
CC(=C=CCC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -13.288

InChIKey:
WNFYAFGEBXTFKY-UHFFFAOYSA-N

ID: 69224

SMILES:
c1(O)cc(CCCCC)cc2c1-c1c(c(O)c(Cl)c(O)c1)C1C2C(C(C)=C)CCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 441.011

CB1 binding score: -15.417

InChIKey:
DFIYQOZYBUXPFS-UHFFFAOYSA-N

ID: 69225

SMILES:
C1C=C(C)CCC12C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.228

InChIKey:
XQYSGOVDVJLJAU-UHFFFAOYSA-N

ID: 69226

SMILES:
C(c1ccc2c(c1C)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.416

CB1 binding score: -15.905

InChIKey:
UOTHZSSUIYKIAO-UHFFFAOYSA-N

ID: 69227

SMILES:
COc1c(C)cc2c(c1)-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -16.591

InChIKey:
ZINJGWUKZANUSE-UHFFFAOYSA-N

ID: 69228

SMILES:
C1c2c(C)cc3c(c2OC1O)C(C)(C)Oc1c-3c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.473

CB1 binding score: -15.929

InChIKey:
UWFMFJLYGVZAAE-UHFFFAOYSA-N

ID: 69229

SMILES:
C1(C)(C)CC2C(C)(Oc3cc(CCCCC)cc(O)c32)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -17.984

InChIKey:
JBEHHYUQTNIXGO-UHFFFAOYSA-N

ID: 69230

SMILES:
C1C2C(CC(C)=C1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 69231

SMILES:
C1(C=O)(C)C2CC3(c4c(cc(CCCCC)cc4OC)O3)C(CC1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -13.636

InChIKey:
VUAXGNZIXROJLM-UHFFFAOYSA-N

ID: 69232

SMILES:
Oc1cc2c(cc1C)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -19.623

InChIKey:
MUNXTPXTGBOZLU-UHFFFAOYSA-N

ID: 69233

SMILES:
C1(=O)c2c(O)cc(CCCCC)cc2OC(C)(C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -18.915

InChIKey:
QGXPGVCOVFFYDF-UHFFFAOYSA-N

ID: 69234

SMILES:
C1=C(C(O)=O)C2CCC(C)C3C(c4c(O)cc(CCCC)cc4O)OC(=C1C)C(=O)C32

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.509

CB1 binding score: -12.218

InChIKey:
BVKHOGQXWLMKJE-UHFFFAOYSA-N

ID: 69235

SMILES:
C12C(C)(C(=C)CCC1)c1c(cc(CCCCC)c(C(=O)O)c1O)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -16.677

InChIKey:
BKERGMZQODOPTF-UHFFFAOYSA-N

ID: 69236

SMILES:
C(CC=C(C)CCC=C(C)C)C(=CCc1cc(O)c(CC(O)=O)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Merosesquiterpenoids;Tetraketide meroterpenoids

MW: 372.505

CB1 binding score: -18.306

InChIKey:
BDRGSNYWOXCBFU-UHFFFAOYSA-N

ID: 69237

SMILES:
CC1(C)C(=O)c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: -19.037

InChIKey:
WOUJHLUSTPDGBC-UHFFFAOYSA-N

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69217–69237 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