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Molecule Identifiers
Molecular Properties

ID: 128185

SMILES:
Brc1c2c(c(O)cc1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 323.23

CB1 binding score: -14.521

InChIKey:
DZMNFZBFJMSACI-UHFFFAOYSA-N

ID: 128186

SMILES:
C1(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 128187

SMILES:
c1(OCCc2cccc(OC)c2)cc2c(cc1C)OC(CCCC(C)C)(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -14.492

InChIKey:
KOXFLGXIDOGZAA-UHFFFAOYSA-N

ID: 128188

SMILES:
C(Cc1c(CCCCC)cc2c(c1O)-c1c(ccc(C)c1)C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.518

CB1 binding score: -15.708

InChIKey:
OSWUITCKTWEELA-UHFFFAOYSA-N

ID: 128189

SMILES:
C(=Cc1cc2c(cc1CCCCC)OC(C)(C)c1ccc(C)cc1-2)CC(OC)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.539

CB1 binding score: -17.73

InChIKey:
BTMYGPOZEWZUCH-UHFFFAOYSA-N

ID: 128190

SMILES:
C(c1cc(O)c2c(c1C)OC1(C)C2C(C(C)C)CC1)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -14.578

InChIKey:
WUFNMTGCMPVFAS-UHFFFAOYSA-N

ID: 128191

SMILES:
O1C(=O)C23CC1CC=C2C1=C(CC(C)(C)C1)c1c(CCCCC)cc(O)c(C(=O)C=C(C)C)c1O3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 476.613

CB1 binding score: -14.874

InChIKey:
IIOZKFYSLACKHL-UHFFFAOYSA-N

ID: 128192

SMILES:
C1=C(C)CC(c2c(O)c(O)cc(CC(O)C)c2)C1C(=C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -14.511

InChIKey:
UWYACUJVCUDOES-UHFFFAOYSA-N

ID: 128193

SMILES:
C1(c2cc(CCC(CC)O)ccc2O)C(C(=C)C)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.522

InChIKey:
POWZRHBPWYRZBX-UHFFFAOYSA-N

ID: 128194

SMILES:
C(C1C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1)CC(O)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.565

CB1 binding score: -14.013

InChIKey:
GZLAAHSYESXSEB-UHFFFAOYSA-N

ID: 128195

SMILES:
c1(O)ccc(O)c(CC=C(CCC=C2CCC(C3(C)OC(C)(C)C=CC3)OC2(C)C)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.624

CB1 binding score: -12.246

InChIKey:
OHMFJFPAGAXHTI-UHFFFAOYSA-N

ID: 128196

SMILES:
c1(OC)c(O)c(C2C(C(=C)C)CCC(C)=C2)c(C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -16.502

InChIKey:
TVALGMPTUIMGQM-UHFFFAOYSA-N

ID: 128197

SMILES:
CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.132

InChIKey:
QALUAGSKFZOESW-UHFFFAOYSA-N

ID: 128198

SMILES:
C12C(C(C)C)CCC(CO)(Oc3cc(CCCCC)cc(O)c31)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.85

InChIKey:
KBTXRZYQKLNRJW-UHFFFAOYSA-N

ID: 128199

SMILES:
c1c2c(cc(CCCCC)c1C(O)=O)OC(C)(C)C(O)CCC1(C)OC1C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -14.797

InChIKey:
KFBUVZHFDZCVBY-UHFFFAOYSA-N

ID: 128200

SMILES:
C1(c2ccc(OCC=C(C)C(OC(=O)C(C)=CC)=O)cc2)C=C(C)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.538

CB1 binding score: -11.326

InChIKey:
BOSOSOVNIPEZQV-UHFFFAOYSA-N

ID: 128201

SMILES:
C1CC(C)=CC2C1C(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

ID: 128202

SMILES:
C1CC(C(C)=C)C(c2cc(O)c(Br)cc2O)C=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 323.23

CB1 binding score: -17.416

InChIKey:
XUGKBBCHKHECPV-UHFFFAOYSA-N

ID: 128203

SMILES:
C1(C)(C)Oc2cc(CCCCCC)cc(O)c2C=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -17.086

InChIKey:
JTNXKCXODVSTAX-UHFFFAOYSA-N

ID: 128204

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -13.842

InChIKey:
MLHIDCHXNRGKLZ-UHFFFAOYSA-N

ID: 128205

SMILES:
C(CC1(C)C=Cc2c(O)cc(CCCCC)cc2O1)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

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128185–128205 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