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Molecule Identifiers
Molecular Properties

ID: 142129

SMILES:
CC1(C)Oc2ccc(CCCCC)cc2C=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 230.351

CB1 binding score: -18.42

InChIKey:
HRPQXGKXIKLDMZ-UHFFFAOYSA-N

ID: 142130

SMILES:
Oc1cc(CCCCC)cc2c1C(C1=CC3C=C(C)C(=O)C1(O)CC(C)(C)C3)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.555

CB1 binding score: -14.612

InChIKey:
AMTFSVLOGNBPGJ-UHFFFAOYSA-N

ID: 142131

SMILES:
CC1(C)Oc2cc(CCCCC)cc(OC)c2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 142132

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C1C(C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -16.81

InChIKey:
ZPJGVTPBFCLYQZ-UHFFFAOYSA-N

ID: 142133

SMILES:
C1=C(C)CCC=C(C=O)CCC2C(c3c(cc(CCCCC)cc3O)O2)C1C(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.717

CB1 binding score: -13.39

InChIKey:
GTLUPCXYQQVZSR-UHFFFAOYSA-N

ID: 142134

SMILES:
c1c(C)cc2c(c1)C(C)(C)Oc1cc(CCCCC)c(C(O)=O)c(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.446

CB1 binding score: -17.564

InChIKey:
KXKOBIRSQLNUPS-UHFFFAOYSA-N

ID: 142135

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC(C(C)=CC)=O)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -15.263

InChIKey:
HUCPNYLVQIPUCP-UHFFFAOYSA-N

ID: 142136

SMILES:
C12CCC3(C)C(O3)C1c1c(O)cc(CCCCCO)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -17.139

InChIKey:
QLRZPWSFOWIKMX-UHFFFAOYSA-N

ID: 142137

SMILES:
CC1(C)C2CCC(C)CC2c2c(O)cc(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -16.217

InChIKey:
OYOOLOCDHFSWDB-UHFFFAOYSA-N

ID: 142138

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C(C1C(=C)C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -15.519

InChIKey:
FXTYTXWMHFSIAK-UHFFFAOYSA-N

ID: 142139

SMILES:
C1(C)=CC(c2cc(CCCCC)cc(O)c2O)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.334

InChIKey:
VEBHZTTZGZYZIW-UHFFFAOYSA-N

ID: 142140

SMILES:
C(c1cc(O)c(OC(C)(C)C)cc1CC1=CCCC(C)=C1C)CC(C)=CCO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -15.322

InChIKey:
REEBMCJODKGGFJ-UHFFFAOYSA-N

ID: 142141

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CC1(C)C2C1c1c(cc(CCCCC)cc1O)OC(C)(C)C2=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 570.814

CB1 binding score: -16.438

InChIKey:
GTLQZBQIKKFQAJ-UHFFFAOYSA-N

ID: 142142

SMILES:
C(CCC)c1cc(O)c2c(c1)OC(C)(C)C1CC2C(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.187

InChIKey:
GBUONTPUCQFUQJ-UHFFFAOYSA-N

ID: 142143

SMILES:
Brc1c2c(c(OC)c(C)c1CCCCC)OC(C)(C)C1C2CC(CO)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 437.418

CB1 binding score: -14.788

InChIKey:
WHYNXQHDWCFWJM-UHFFFAOYSA-N

ID: 142144

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -17.337

InChIKey:
RBACAYRWTVHOKX-UHFFFAOYSA-N

ID: 142145

SMILES:
C1C(C)CC(c2c(O)cc(CCC)cc2O)C(C(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.447

CB1 binding score: -19.319

InChIKey:
VNFNICPIQJPBJY-UHFFFAOYSA-N

ID: 142146

SMILES:
c12c(OC)cc(CCCCC)cc1OC1(C)CCC3C(C)(C)C3C=C(C)CC1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -13.386

InChIKey:
JEMVXAPOOVCAIL-UHFFFAOYSA-N

ID: 142147

SMILES:
O1c2c(c(O)cc(CCCCC)c2)CC2C(C)(C)CCCC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.783

InChIKey:
KPTGTVLDBMVBEX-UHFFFAOYSA-N

ID: 142148

SMILES:
C(CO)CC(c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C(OC)=O)CC1)C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -14.645

InChIKey:
BHUCGKREQANLSO-UHFFFAOYSA-N

ID: 142149

SMILES:
C(CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

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142129–142149 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