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Molecule Identifiers
Molecular Properties

ID: 51178

SMILES:
C(C(C)(C)CC)=CC(O)(C)C1CCC2(O)c3c(cccc3)OC(C)(C)C2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -15.248

InChIKey:
NRZBUBNNYWYTTN-UHFFFAOYSA-N

ID: 51179

SMILES:
c1(CCCOC)ccc(O)c(C2C(C(C)=C)CC(O)C(C)=C2)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.531

InChIKey:
YQGONKMHKBLYLR-UHFFFAOYSA-N

ID: 51180

SMILES:
C(c1c(O)c2c(cc1CCCN)OC(C)(C)C1C2CC(C)(O)CC1)(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 363.454

CB1 binding score: -14.318

InChIKey:
NYVUPEZNJCDNLV-UHFFFAOYSA-N

ID: 51181

SMILES:
c1(C)c(OC)cc2c(c1)C1C(C(C)(C)O2)CC=C(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -16.967

InChIKey:
WGJMFYLWJSZRCW-UHFFFAOYSA-N

ID: 51182

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)C=C1)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.268

InChIKey:
SEIZGBZDMQFUGG-UHFFFAOYSA-N

ID: 51183

SMILES:
Nc1cc2c(c(O)c1)C1=C(C(C)(C)O2)CCC(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 259.349

CB1 binding score: -15.677

InChIKey:
HAWSLBDRLPQDLT-UHFFFAOYSA-N

ID: 51184

SMILES:
c1(CCCCCC)cc2c(c(O)c1)C1C3OC4(C)CCC1C3C2OC(=O)C4C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -12.629

InChIKey:
UIJAEUUISGMPME-UHFFFAOYSA-N

ID: 51185

SMILES:
C1(C)=CC(c2c(O)cc(CCCCC)cc2O)OC(C)(C)C2CC1CC=C(CO)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -12.769

InChIKey:
GAUSZTWTLWTPAZ-UHFFFAOYSA-N

ID: 51186

SMILES:
O=C1c2c(O)c(CC=C(C)CCCC(C)C)c(CCCCC)cc2OC(C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -15.544

InChIKey:
ARPRBKIERRPDES-UHFFFAOYSA-N

ID: 51187

SMILES:
C(CCCC)Cc1cc2c(c(OC(C)=O)c1)C1CC(C)(O2)CCC2C(C)(C)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -16.246

InChIKey:
LYJJVOMYKMOUTJ-UHFFFAOYSA-N

ID: 51188

SMILES:
C1(=O)C2C(C)CC(c3c(O)cc(CCCC)cc3O1)OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -13.749

InChIKey:
OLLHZNDHUKEEGM-UHFFFAOYSA-N

ID: 51189

SMILES:
C(CCC(=CCc1c2c(c(O)cc1)OC(C)(C)C1CCC(C)=CC12)C)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.599

CB1 binding score: -16.699

InChIKey:
RDHCZVKNPGFDIT-UHFFFAOYSA-N

ID: 51190

SMILES:
CC12Oc3c(c(O)c(C(O)=O)c(CCC)c3)C(=O)C1(O)CC(C(=C)C)C(C=CCCCCCC)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.633

CB1 binding score: -12.458

InChIKey:
RWWFYGZTYIUFLC-UHFFFAOYSA-N

ID: 51191

SMILES:
C(CCc1cc(OC)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 51192

SMILES:
c12c(c(OC)cc(CCCCC)c1)OC(C)(C)C1CCC(C)(C21O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -15.934

InChIKey:
FGXPHPBGKSSLRN-UHFFFAOYSA-N

ID: 51193

SMILES:
C1C(O)C2(C)Oc3c(c(O)cc(CCCCC)c3)C2C2C1C(O)(C)CC(C=C(C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.585

CB1 binding score: -14.627

InChIKey:
BLFRLLZVKVILDR-UHFFFAOYSA-N

ID: 51194

SMILES:
Oc1c(O)cc(CCCCC)c2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.585

InChIKey:
HSSWXEGGDNCSBM-UHFFFAOYSA-N

ID: 51195

SMILES:
COc1cc2c(cc1O)OC(C)(C)C1CCC(C)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.112

InChIKey:
OTSLLDNPLNAKHW-UHFFFAOYSA-N

ID: 51196

SMILES:
c12c(OC)c(CCCCC)cc(OC)c1C1C(C(C)(C)O2)CC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -17.923

InChIKey:
QWOKRQARUFAVQS-UHFFFAOYSA-N

ID: 51197

SMILES:
C1(=O)C(C)(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c2C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.358

CB1 binding score: -16.581

InChIKey:
FGCFVMBJPABCLT-UHFFFAOYSA-N

ID: 51198

SMILES:
C1(C)=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

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51178–51198 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