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Molecule Identifiers
Molecular Properties

ID: 135157

SMILES:
C1C(C)(O)C(O)C2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -19.298

InChIKey:
TZGCTXUTNDNTTE-UHFFFAOYSA-N

ID: 135158

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -15.526

InChIKey:
TUBAJFPMHHKGOZ-UHFFFAOYSA-N

ID: 135159

SMILES:
CC(C)=CCCC1(C)Oc2cc(CCCCC)cc(O)c2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 135160

SMILES:
C(CCCc1cc2c(c(O)c1)C1=C(CCC(C)=C1)C(C)(C)O2)c1ccc(O)c(OC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.549

CB1 binding score: -16.344

InChIKey:
ROFPBRDVJACQSD-UHFFFAOYSA-N

ID: 135161

SMILES:
O=C1C(C)=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.385

InChIKey:
FDNNJCBXKFAQSP-UHFFFAOYSA-N

ID: 135162

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -15.168

InChIKey:
QZCUZRTVISPQHU-UHFFFAOYSA-N

ID: 135163

SMILES:
C(CC1OOC2(C)C(CC=C(CCC=C(C)C)C)CC=C(C)C2=C1)C(=CCc1cc(O)cc(C)c1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 506.727

CB1 binding score: -15.16

InChIKey:
GQNJFWUVKOVXOS-UHFFFAOYSA-N

ID: 135164

SMILES:
C(=C(CCC=C(C)C)C)Cc1c(OC)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -18.913

InChIKey:
GDBWRAFIFHBEOL-UHFFFAOYSA-N

ID: 135165

SMILES:
c1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.957

InChIKey:
OANGEIYPAQYPQV-UHFFFAOYSA-N

ID: 135166

SMILES:
C1C(O)C(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -19.729

InChIKey:
GIIVGKMZIUKMMN-UHFFFAOYSA-N

ID: 135167

SMILES:
C(c1cc(O)c(C2C(C(C)(C)O)CCC(C)=C2)c(O)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -17.272

InChIKey:
IBBUPAJATJVVHX-UHFFFAOYSA-N

ID: 135168

SMILES:
c1(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c(C(=O)O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -19.381

InChIKey:
ZGUWKQMGZPIDQH-UHFFFAOYSA-N

ID: 135169

SMILES:
c12c(cc(O)cc1)OC(C)(C)C1C2C=C(CO)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -17.379

InChIKey:
NIHCMYBTJLLGPG-UHFFFAOYSA-N

ID: 135170

SMILES:
c12cc(=O)cccc1OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.345

CB1 binding score: -16.41

InChIKey:
WKHDHOMHSWKHJO-UHFFFAOYSA-N

ID: 135171

SMILES:
C(=C(C)C)CCC(=CC1c2c(O)c(OC)c(CC)cc2OC(C)(C)C=C1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -12.769

InChIKey:
NVGFWJCKRGWALH-UHFFFAOYSA-N

ID: 135172

SMILES:
C1C(C)=CC2C3(C(C)(C)Oc4cc(C)c(O)c(c42)C3)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.372

CB1 binding score: -15.929

InChIKey:
UCJLSJNWJNOQBL-UHFFFAOYSA-N

ID: 135173

SMILES:
Oc1c2c(c(O)cc1CCCCC)OC(C)(C)C1CC=C(C(OC)=O)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -15.825

InChIKey:
QLHUEIWDJSMALI-UHFFFAOYSA-N

ID: 135174

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC=C(C)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.761

InChIKey:
LJGHTIKIHFANFH-UHFFFAOYSA-N

ID: 135175

SMILES:
C12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 135176

SMILES:
Oc1c(C2OCC(=CC=CC(C)(C)CO)C2)c(O)cc(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -13.175

InChIKey:
ZXIQLRYYLGGEGE-UHFFFAOYSA-N

ID: 135177

SMILES:
CC1(C)C2CC=C(C)CCC=C(C)CC1c1cc(CCCCC)cc(O)c12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.589

CB1 binding score: -16.502

InChIKey:
YMZFNSFZDADSQH-UHFFFAOYSA-N

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135157–135177 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