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Molecule Identifiers
Molecular Properties

ID: 33916

SMILES:
C1CC(C)=CC(c2c(O)cc(CCCCCO)cc2O)C1C(C)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -14.393

InChIKey:
ZPZOEBBNBIFJCA-UHFFFAOYSA-N

ID: 33917

SMILES:
C1(C)(C)Oc2c(c(OC)cc(CCCC)c2)C2C(C)=C(CCC(O)(C)C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -12.083

InChIKey:
CCUVYCRXOSAUCH-UHFFFAOYSA-N

ID: 33918

SMILES:
C1(O)CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.534

InChIKey:
INKUWBOHCFHXTJ-UHFFFAOYSA-N

ID: 33919

SMILES:
C1CC(C)C2CC=C(C)C3Oc4cc(CCCC)cc(O)c4C13CO2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.083

InChIKey:
MBOIJADCIUTVQL-UHFFFAOYSA-N

ID: 33920

SMILES:
Oc1c2c(c(Cl)c(O)c1CC=C(C)C)OC(C)(C)C1C2CC(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.886

CB1 binding score: -13.511

InChIKey:
JKOZNYRCVVBCJK-UHFFFAOYSA-N

ID: 33921

SMILES:
C(CCCc1ccc(O)c2c1OC(C)(C)C1CCC(CO)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.929

InChIKey:
RMBZLPGNIUVUNA-UHFFFAOYSA-N

ID: 33922

SMILES:
CC(=CCOc1c(O)c(C(=O)OC)c(CCCC)cc1O)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -15.314

InChIKey:
HMTSQSLBNPLPAP-UHFFFAOYSA-N

ID: 33923

SMILES:
C(CCCC)CCC(C)=CCc1cc(OC)c(C2C=C(C)CCC2C(=C)C)c(O)c1C(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.651

CB1 binding score: -17.23

InChIKey:
XGRRJKWTODIRNW-UHFFFAOYSA-N

ID: 33924

SMILES:
C1(C)(C)C2C3C(C)(Oc4c(c(O)c(C=O)c(CCCCC)c4)C3C1)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -14.634

InChIKey:
NAIQMVOELUXPTG-UHFFFAOYSA-N

ID: 33925

SMILES:
C1=CC(C)(C)Oc2cc(CCC)cc(OC)c21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 232.323

CB1 binding score: -17.053

InChIKey:
UXNNGEHWKFDWSX-UHFFFAOYSA-N

ID: 33926

SMILES:
c12cc(CCCCC)cc(O)c1OC(C)(C)C=C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -17.934

InChIKey:
SIKFDXUFVYCZGK-UHFFFAOYSA-N

ID: 33927

SMILES:
C1=C(C)CCC2C(C)(C)Oc3ccc(O)cc3C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.067

InChIKey:
OBJJEVJNCDBGOD-UHFFFAOYSA-N

ID: 33928

SMILES:
c1c(CCCCC)cc2c(c1O)C1C(CC(C)C2)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -15.302

InChIKey:
JYKISOYBUNMDRB-UHFFFAOYSA-N

ID: 33929

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 33930

SMILES:
C1(O)C2C(C)(C)Oc3cc(C(C)C)cc(O)c3C1C(=O)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.331

CB1 binding score: -11.791

InChIKey:
DYFYOVKGJGFDKB-UHFFFAOYSA-N

ID: 33931

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(CCC=C(CCC=C(C)C)C=O)C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.41

InChIKey:
BGUUUPWKQKVQMN-UHFFFAOYSA-N

ID: 33932

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)(O)C=C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.296

InChIKey:
FZAGTOJLWTUWJG-UHFFFAOYSA-N

ID: 33933

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.083

InChIKey:
QXXLWRNATPUGNQ-UHFFFAOYSA-N

ID: 33934

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC1(C(O)(CCC=C(C)C)C(=O)O1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -13.589

InChIKey:
XBVBMXQHJYVXOL-UHFFFAOYSA-N

ID: 33935

SMILES:
c1(C(CCCCC)C)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -15.607

InChIKey:
LUKIUVRUPPUGME-UHFFFAOYSA-N

ID: 33936

SMILES:
Oc1c(C(C(CC)C)=O)c2c(c(O)c1C1C=C(C)CCC1C(=C)C)C=C1C(C)(CCC1=O)C(C)(CCC=C(C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 560.775

CB1 binding score: -15.797

InChIKey:
YRWNCNXGNYZEIM-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties