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Molecule Identifiers
Molecular Properties

ID: 127345

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C(O)=O)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -20.052

InChIKey:
YOVRGSHRZRJTLZ-UHFFFAOYSA-N

ID: 127346

SMILES:
C1CC=C(C)C2(C1(C)C)Oc1c(c(O)cc(CCCCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -16.015

InChIKey:
ZSDILKIXDKQPNH-UHFFFAOYSA-N

ID: 127347

SMILES:
C1C(C(C)=C)C(c2c(O)cc(CCC)cc2OC)CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.099

InChIKey:
NBMJMYIBJIBJAJ-UHFFFAOYSA-N

ID: 127348

SMILES:
C12CCC(C)CC(=O)C1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -13.301

InChIKey:
OGUHQCCIMRHJQB-UHFFFAOYSA-N

ID: 127349

SMILES:
CC(C(OC1C2C(CC(C)=CC1)c1c(cc(CCCCC)cc1O)OC2(C)C)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: Not available

InChIKey:
WCORUSKFGAGDSX-UHFFFAOYSA-N

ID: 127350

SMILES:
Cc1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.419

InChIKey:
ZMNHKIYRUABASK-UHFFFAOYSA-N

ID: 127351

SMILES:
CC(C1Oc2c(c(O)cc(CCCCC)c2)C2C1C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -15.929

InChIKey:
VKTQDSBFBODEKL-UHFFFAOYSA-N

ID: 127352

SMILES:
CC(OC1CC2C(C)(C)Oc3cc(C)cc(O)c32)c(O)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -13.637

InChIKey:
DMBJESYZVAGWNE-UHFFFAOYSA-N

ID: 127353

SMILES:
C(CC)Cc1cc(O)c(C2CC(C(=C)C)C(c3cocc3)OC2=O)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.446

CB1 binding score: -15.19

InChIKey:
NFTZVAUUXKYORO-UHFFFAOYSA-N

ID: 127354

SMILES:
C1(C)(C)Oc2cc(C)cc(O)c2C2=C1CCC2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -16.539

InChIKey:
ZCFWFPZAQVWBPT-UHFFFAOYSA-N

ID: 127355

SMILES:
c1c(C)c(OC)c(O)cc1C(CCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)CC1C=CC(O)C1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 548.764

CB1 binding score: -13.774

InChIKey:
YXYFYGPWPKRIOL-UHFFFAOYSA-N

ID: 127356

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.618

InChIKey:
BRWDLBFOIVWKDB-UHFFFAOYSA-N

ID: 127357

SMILES:
c1(O)cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1C1Oc2cc(CCCCC)cc(O)c2C2C(C(=O)C=CC2C)CCC1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 616.839

CB1 binding score: -12.476

InChIKey:
JPRJXNZLDPQNGL-UHFFFAOYSA-N

ID: 127358

SMILES:
Oc1cc(CCCC(C)=CC(O)=O)cc2c1C=CC(C)(CCC=C(C)C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -14.988

InChIKey:
WMBMZCONBLBTMN-UHFFFAOYSA-N

ID: 127359

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 127360

SMILES:
C1c2c(cc(CCCCC)cc2O)OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 234.339

CB1 binding score: -18.796

InChIKey:
BFFUWWHIAIGFJU-UHFFFAOYSA-N

ID: 127361

SMILES:
CC(=CCc1c2c(c(O)c(OC)c1)C(=O)OC(C)(C)C1C2C=C(C)CC1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -17.196

InChIKey:
BFTCWLDRACVXFC-UHFFFAOYSA-N

ID: 127362

SMILES:
C1CC(C)=CC(c2c(OC)cc(CCCCC)cc2OC)C1C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -16.811

InChIKey:
LMRIZMMMXMGMEH-UHFFFAOYSA-N

ID: 127363

SMILES:
C1C(C)(O)CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 127364

SMILES:
c1(C)cc(Cc2cc(O)ccc2O)c2c(c1)OC(C)(C)C1C2CC(=C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.485

CB1 binding score: -14.906

InChIKey:
GAKJCKRNDAELQY-UHFFFAOYSA-N

ID: 127365

SMILES:
Oc1ccc(C2COc3c(c(O)cc(CCCCC)c3)C2CC(C)=C)cc1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.501

CB1 binding score: -16.766

InChIKey:
CFGDFYIXZZYCDU-UHFFFAOYSA-N

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127345–127365 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