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Molecule Identifiers
Molecular Properties

ID: 119071

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -16.85

InChIKey:
GYOLYELNRJHCLT-UHFFFAOYSA-N

ID: 119072

SMILES:
CC1(C)C2C(c3c(O)ccc(CCCC(OC)=O)c3O1)CC(C(C)=C)CC=C(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -15.239

InChIKey:
FMIKMULFGOGXLR-UHFFFAOYSA-N

ID: 119073

SMILES:
C1C(O)C2C(C)(C)Oc3cc(CCCCC)cc(OC)c3C2C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.879

InChIKey:
DIFQSXGUCOQNAW-UHFFFAOYSA-N

ID: 119074

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)C(O)C1)C(=O)C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -15.112

InChIKey:
QJDKIIKQASSRBY-UHFFFAOYSA-N

ID: 119075

SMILES:
c1(C2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 119076

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -17.712

InChIKey:
SBLQFIJJHXJVBQ-UHFFFAOYSA-N

ID: 119077

SMILES:
C12CC(C)(Oc3cc(CCCCC)cc(O)c31)CCC1C2(C)CCC(=O)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.929

InChIKey:
ZAJLGLPSZVQQRL-UHFFFAOYSA-N

ID: 119078

SMILES:
C1(=O)c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: -19.037

InChIKey:
WOUJHLUSTPDGBC-UHFFFAOYSA-N

ID: 119079

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 119080

SMILES:
CC1(C)C2CCC(O)(C)CC2c2c(cc(CCCCCCCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.619

CB1 binding score: -17.469

InChIKey:
BCDHFLPHCWOBFX-UHFFFAOYSA-N

ID: 119081

SMILES:
CC1(C)Oc2ccc(O)cc2C2C1CC(O)C(C)=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.086

InChIKey:
HTZNOUQOHSVVAH-UHFFFAOYSA-N

ID: 119082

SMILES:
COc1cc(C)c(C2C(C(=C)C)CCC2(CO)C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -15.091

InChIKey:
MTLFCMADOFXADO-UHFFFAOYSA-N

ID: 119083

SMILES:
C(O)C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.483

InChIKey:
NOBVLNKOMCEFJL-UHFFFAOYSA-N

ID: 119084

SMILES:
Oc1c(C2C(C(O)(C)C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 119085

SMILES:
CC(O)(C)C1CCC(C)=CC1c1c(O)cc(O)cc1CC(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -13.428

InChIKey:
YRKVKMKTWHYODH-UHFFFAOYSA-N

ID: 119086

SMILES:
C1(C(C)C)C2C3C=C(C)CCC3C(C)(CC1)Oc1cc(CCC(CC)C)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.642

CB1 binding score: -5.735

InChIKey:
PVSKEGHYTZVKAL-UHFFFAOYSA-N

ID: 119087

SMILES:
C(c1cc(O)c2c(c1)OC(CO)CC2)C=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -14.638

InChIKey:
WGJSEIQDADJEJF-UHFFFAOYSA-N

ID: 119088

SMILES:
C(Cc1c(O)c(CC=C(CCC=C(C)C)C)c(O)cc1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.107

InChIKey:
MIXCUUCNJULULK-UHFFFAOYSA-N

ID: 119089

SMILES:
C1CCC(C)(C)Oc2cc(CCCCC)cc(O)c2C1=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -17.19

InChIKey:
XCEZXTVCEPYUGS-UHFFFAOYSA-N

ID: 119090

SMILES:
CC1=CC(c2cc(CCCCC)ccc2O)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.247

InChIKey:
IJXLDZIYGDHKBA-UHFFFAOYSA-N

ID: 119091

SMILES:
C(C)(C)=CCc1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -19.169

InChIKey:
FCNLMUQPSJEBQE-UHFFFAOYSA-N

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119071–119091 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