Browse

Molecule Identifiers
Molecular Properties

ID: 126925

SMILES:
c1c(O)c(CC=C(C)CCC=C(C)C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 126926

SMILES:
O1c2cc(C)cc(O)c2C2CC(C1C)CCC2C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -17.334

InChIKey:
NOFYMRWUCAWDTD-UHFFFAOYSA-N

ID: 126927

SMILES:
C12C(c3c(cc(CCCCC)cc3O)OC1C=C(C)C)CC(C)(O)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -15.325

InChIKey:
CITYQKOUHZGKFO-UHFFFAOYSA-N

ID: 126928

SMILES:
C1(Oc2cc(CCCCC)ccc2O)C(C(C)=C)CC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.25

InChIKey:
CJTUVNNBIABFOQ-UHFFFAOYSA-N

ID: 126929

SMILES:
C1(=O)C23C(c4c(O)cc(CCCCC)cc4OC2CC(C)(C)C3)CO1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -14.758

InChIKey:
OHFWCFZHFOMYNE-UHFFFAOYSA-N

ID: 126930

SMILES:
C1C(CO)OC(OC2C(=O)c3c(O)cc(CCCCC)cc3OC2(C)C)C(OC(c2ccccc2)=O)C1OC(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 570.635

CB1 binding score: -14.378

InChIKey:
SVHZDXHJLMXWAQ-UHFFFAOYSA-N

ID: 126931

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 126932

SMILES:
Oc1cc(CCC)cc2c1C1C(C2)C(C)(C)OC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -15.201

InChIKey:
LUASOPXLYRSJHF-UHFFFAOYSA-N

ID: 126933

SMILES:
c12c(O)cc(C)cc1OC1(C)C(C2)C(C(C)C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -17.007

InChIKey:
FGXYKJQZRUOXHT-UHFFFAOYSA-N

ID: 126934

SMILES:
C(O)(=O)c1cc(C2C=C(C)CCC2C(=C)C)c(O)cc1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -15.526

InChIKey:
MDTMLLNIEVPEAG-UHFFFAOYSA-N

ID: 126935

SMILES:
C1C(CO)=CC2c3c(cc(CCCCC)cc3OC(C)=O)C(C(=C)C)CCC2(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -14.951

InChIKey:
ABVYUOCHFBUZNO-UHFFFAOYSA-N

ID: 126936

SMILES:
Oc1c(O)c(C=O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -16.157

InChIKey:
DWZCLDYJSRJXSV-UHFFFAOYSA-N

ID: 126937

SMILES:
Oc1c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CCc2ccc(O)cc2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.485

CB1 binding score: -18.334

InChIKey:
QLPVCOQUNQFEAZ-UHFFFAOYSA-N

ID: 126938

SMILES:
CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.805

InChIKey:
CDBDULHNWQRYSY-UHFFFAOYSA-N

ID: 126939

SMILES:
CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 126940

SMILES:
C=C(C1CC2C3(C(C)=CC(=O)C=C3C)CCC2(C)CC1c1c(O)cc(CCC)cc1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.62

CB1 binding score: -13.446

InChIKey:
RKKSXGLVLNEJEI-UHFFFAOYSA-N

ID: 126941

SMILES:
CNC12c3c(c(C)c(O)c(C(=O)C(C(C)C)=O)c3O)OC(C)(C)C1CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 389.492

CB1 binding score: -15.374

InChIKey:
PUZZPVXFDHYHSU-UHFFFAOYSA-N

ID: 126942

SMILES:
C1C(C)CCC2=C1c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.622

InChIKey:
NEBZNJDFIPBXCS-UHFFFAOYSA-N

ID: 126943

SMILES:
C1C(OC(C)=O)(C(C)=C)C2C(C)(Oc3c(CCC)cc(O)c(O)c3C2O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.449

CB1 binding score: -14.14

InChIKey:
MMFVPRXRWLGNCR-UHFFFAOYSA-N

ID: 126944

SMILES:
c1c(O)cc(C)c2c1-c1c(O)cc(CCCCC)cc1OC2(C)CO

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -15.451

InChIKey:
BSLKJAWYXSXBGO-UHFFFAOYSA-N

ID: 126945

SMILES:
Oc1c(O)c(C)c(C2C=C(C)CCC2C(=C)C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -16.248

InChIKey:
RNAJSUVTSXCPLF-UHFFFAOYSA-N

◀6042604360446045604660476048▶
126925–126945 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