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Molecule Identifiers
Molecular Properties

ID: 129739

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 129740

SMILES:
c1(OC)cc(CCCCC)cc2c1C1C(C(C)(C)O2)C(=O)C=C(C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -16.813

InChIKey:
MHAUPFMSSOGWAG-UHFFFAOYSA-N

ID: 129741

SMILES:
CC(C1=CC(OC(=O)C(C)(C)C(C)C)C2(C)Oc3c(c(O)cc(C)c3)CCC2C1O)C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.623

CB1 binding score: -17.507

InChIKey:
SLUFOGGENFEGCE-UHFFFAOYSA-N

ID: 129742

SMILES:
c12c(c(C(=O)CCC)cc(O)c1O)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -16.985

InChIKey:
LQAZIKPNYKJZSI-UHFFFAOYSA-N

ID: 129743

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.187

InChIKey:
APYVGHRSXIHNEX-UHFFFAOYSA-N

ID: 129744

SMILES:
Oc1cc(O)cc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.957

InChIKey:
ZSBGNUPOFUYDMQ-UHFFFAOYSA-N

ID: 129745

SMILES:
C1(C(C)(C)O)C(c2c(OC)cc(CCCCCCC)cc2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.565

CB1 binding score: -15.403

InChIKey:
HXLDJBUYTVHRMJ-UHFFFAOYSA-N

ID: 129746

SMILES:
c1(O)cc(CC=C(C)CC(OC(=O)CCc2cc(OC)c(O)cc2)C=C(C)CC2C(C(=C)C)CCC(C)=C2)ccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 574.758

CB1 binding score: -16.91

InChIKey:
RBVWVZRWMBQMKE-UHFFFAOYSA-N

ID: 129747

SMILES:
C1(C)(O)COc2cc(CCCCC)cc(O)c2C2CC(C)=CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.415

InChIKey:
OLKHXQZJKDDTGA-UHFFFAOYSA-N

ID: 129748

SMILES:
Oc1c(C(C(=O)OC)CCC=O)cc2c(c1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.46

CB1 binding score: -16.761

InChIKey:
DMXNBXDICTXBMQ-UHFFFAOYSA-N

ID: 129749

SMILES:
CC1(C)CC2=Cc3c(cc(CCCC)cc3O)OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -14.3

InChIKey:
SVFGCFOPWGBASK-UHFFFAOYSA-N

ID: 129750

SMILES:
C(n1c2c(C3(O)C(=O)CC(C)(C)CC3=O)c(O)cc(CCCCC)c2)c(O)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 387.476

CB1 binding score: -12.769

InChIKey:
FSZIACAFBCNJQH-UHFFFAOYSA-N

ID: 129751

SMILES:
c1(C)cc2c(c(O)c1)CCC(CCCC(C)C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Prenyl quinone meroterpenoids

MW: 262.393

CB1 binding score: -18.334

InChIKey:
QKBTYGXWHOWCRB-UHFFFAOYSA-N

ID: 129752

SMILES:
O=C(c1c(O)c(C2C=C(C)CCC2C(C)(C)O)c2c(c1)OC(C)(C)CC2)CCC(=O)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.541

CB1 binding score: -14.683

InChIKey:
PQXSZUOUOODPCT-UHFFFAOYSA-N

ID: 129753

SMILES:
c1(O)c2c(c(CCCCC)cc1OC)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.378

InChIKey:
AWIJOEDLZFMSER-UHFFFAOYSA-N

ID: 129754

SMILES:
c1(C2C=C(C)C(O)CC2C(C)(C)O)c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.429

CB1 binding score: -17.917

InChIKey:
FKIWDDGKHMFZNR-UHFFFAOYSA-N

ID: 129755

SMILES:
Cc1cc2c(c(C)c1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.389

CB1 binding score: -16.438

InChIKey:
HCTWUHAVIYFVRM-UHFFFAOYSA-N

ID: 129756

SMILES:
Oc1c(C2C=C(C)CCC2C(C)=C)c(OC)cc(CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.854

InChIKey:
OZYYEDPTJXVZJQ-UHFFFAOYSA-N

ID: 129757

SMILES:
Cc1cc(CCCCC)c(C(=O)O)c2c1OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -16.302

InChIKey:
CAPKFTMHCFILOR-UHFFFAOYSA-N

ID: 129758

SMILES:
C1C(C)(CC)Oc2cc(C)cc(O)c2C1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -15.907

InChIKey:
HZCVIVCDFNCKAJ-UHFFFAOYSA-N

ID: 129759

SMILES:
C1(C(C)C)C(c2c(O)cc(CCC)cc2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

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129739–129759 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