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Molecule Identifiers
Molecular Properties

ID: 114913

SMILES:
c1c(O)c2c(cc1CCCCC)OC(C)(C)C1=C(C(=C)CC2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -12.167

InChIKey:
ARTJOEBXIJHWDT-UHFFFAOYSA-N

ID: 114914

SMILES:
C1Oc2c(c(O)c(C(=O)CC(C)C)c(O)c2C2C(C(=C)C)CCC(C)=C2)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -13.141

InChIKey:
SCRZGXBEWLUUCW-UHFFFAOYSA-N

ID: 114915

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 114916

SMILES:
c1(OC)c(O)c(CC=C(C)CC2C=C(CCC=C(C)C)CC(OC(=O)C)C2C(=C)C)c(OC)cc1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 496.688

CB1 binding score: -16.654

InChIKey:
JRTZJALGLITQPM-UHFFFAOYSA-N

ID: 114917

SMILES:
C(C=Cc1cc(O)c2cc1OC(C)(C)C1C2C=C(C)CC1)=C(C)C1(OC)C=C(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 474.685

CB1 binding score: -16.886

InChIKey:
FDZJEMQYEQNXSF-UHFFFAOYSA-N

ID: 114918

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)=C1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.382

CB1 binding score: -13.493

InChIKey:
JYCPDIJCCNNPAU-UHFFFAOYSA-N

ID: 114919

SMILES:
S(C)(=O)(=O)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1C(=O)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.49

CB1 binding score: -17.141

InChIKey:
FOWANFPTJJHKDX-UHFFFAOYSA-N

ID: 114920

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: 114921

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2(O)C3C(C)(O)CCC3C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: Not available

InChIKey:
CNBRTAREKOUYMD-UHFFFAOYSA-N

ID: 114922

SMILES:
Cc1cc(O)cc2c1-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -17.334

InChIKey:
HESKYZLBSIZEGS-UHFFFAOYSA-N

ID: 114923

SMILES:
c1(CC(N)C(O)=O)cc(O)c(C2C(O)C(C)=CCC2C(C)CCC=C(C)C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 417.546

CB1 binding score: -14.338

InChIKey:
VSGLEWKDBZPQQH-UHFFFAOYSA-N

ID: 114924

SMILES:
CC1(C)C=Cc2c(cc(C)c(CCCCCC)c2)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.405

CB1 binding score: -13.65

InChIKey:
QNNVMGVBTSORKB-UHFFFAOYSA-N

ID: 114925

SMILES:
CC1=CCC2C(C1)c1c(cc(C)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.619

InChIKey:
MMZAEMNNHWYQKW-UHFFFAOYSA-N

ID: 114926

SMILES:
C12C(CO)(C3CC(C)(C)C3CC1)Oc1c2c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.581

CB1 binding score: -13.552

InChIKey:
BXCZAPTXYHXKBE-UHFFFAOYSA-N

ID: 114927

SMILES:
O1c2c(c(O)cc(CCCCC)c2CC=C(C)C)CC=C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -13.169

InChIKey:
UHSHQKHNOAUUOE-UHFFFAOYSA-N

ID: 114928

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 114929

SMILES:
C1OC12Oc1cc(CCCCC)cc(O)c1C1C(C(C)=CC=CC(C(=O)OC)(C)CC3(C)CCCC31C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 524.698

CB1 binding score: -16.494

InChIKey:
AWRMIORVYGXORZ-UHFFFAOYSA-N

ID: 114930

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C(O)CCC(C)(C=C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -14.257

InChIKey:
KLILNPFKOOVKDW-UHFFFAOYSA-N

ID: 114931

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1=CC(=O)C(C)CCC1CO2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -14.222

InChIKey:
DCUXWISVSDQZME-UHFFFAOYSA-N

ID: 114932

SMILES:
CC1(C)C2C(C)(CCC1Oc1cc(CCCCC)cc(O)c1)C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.566

CB1 binding score: -15.238

InChIKey:
CCPYNDVVZDXNRG-UHFFFAOYSA-N

ID: 114933

SMILES:
c1c(CCC(O)=O)cc2c(c1)OC(C)(C)C1C(O)CC(C)(OC(C)=O)CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.449

CB1 binding score: -16.343

InChIKey:
IYCWEJZQPNRGCI-UHFFFAOYSA-N

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114913–114933 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