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Molecule Identifiers
Molecular Properties

ID: 125896

SMILES:
C(CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1CC=C(C)C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -12.769

InChIKey:
LIFOSQGRYUQNCH-UHFFFAOYSA-N

ID: 125897

SMILES:
C(CCC(=CCc1c(O)cc(CCC)cc1O)C(C)(C)O)=C(C=CC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -14.174

InChIKey:
UQIFABPLFIGZLL-UHFFFAOYSA-N

ID: 125898

SMILES:
C1CC2C(C)(C)Oc3cc(C)cc(O)c3C2CC1(C=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.451

InChIKey:
CUGLPZCGGCYJMX-UHFFFAOYSA-N

ID: 125899

SMILES:
CC1CCC(C(CO)(O)C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.472

CB1 binding score: -15.116

InChIKey:
SVPYGMFNTVTOOG-UHFFFAOYSA-N

ID: 125900

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1C(O)CC(C)(OC(=O)C)CC12)C(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.476

CB1 binding score: Not available

InChIKey:
FDCTVIVVZKCXKZ-UHFFFAOYSA-N

ID: 125901

SMILES:
C(Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CC(C(=O)OC)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -15.895

InChIKey:
GNEGQMLXLXRWNP-UHFFFAOYSA-N

ID: 125902

SMILES:
c1c(OC)ccc2c1-c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -20.527

InChIKey:
OMIDBQNIZTZCJZ-UHFFFAOYSA-N

ID: 125903

SMILES:
c1(=O)c(C)c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C=O)c(O)c1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.407

CB1 binding score: -15.326

InChIKey:
WKVNCPYDWGXLFR-UHFFFAOYSA-N

ID: 125904

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -18.582

InChIKey:
PDYKIGRVNVKGPA-UHFFFAOYSA-N

ID: 125905

SMILES:
C(C)C(O)c1cc(O)c2c(c1)OC(C)(CCC=C(C)CCC=C(C)C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -14.475

InChIKey:
IOQUFXFZSWAANV-UHFFFAOYSA-N

ID: 125906

SMILES:
C1CC(C)=CC(c2cc(O)cc(C)c2O)C1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -17.975

InChIKey:
UUVKQBRZNCLIFS-UHFFFAOYSA-N

ID: 125907

SMILES:
C1C2C(C)(C)Oc3cc(CCC)cc(O)c3C2CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.805

InChIKey:
CDBDULHNWQRYSY-UHFFFAOYSA-N

ID: 125908

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: 125909

SMILES:
C1(CCC=C(C)CC(C=C(C)C)=O)(C)Oc2c(c(O)cc(CCCCC)c2)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -17.334

InChIKey:
PEKIYOOWTCLKRB-UHFFFAOYSA-N

ID: 125910

SMILES:
c1(C2C(C)=CC3C(C)(C)C2C3)cc(CCCCC)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -15.244

InChIKey:
UUSAGOQATBZVMG-UHFFFAOYSA-N

ID: 125911

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 125912

SMILES:
CC(O)(C(O)Cc1c(O)cc(CCc2cc(O)cc(O)c2)cc1OC(C)(CCCC1(C)CCCC(C)(C)O1)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 558.756

CB1 binding score: -14.91

InChIKey:
KPSOHCSVFVMUOP-UHFFFAOYSA-N

ID: 125913

SMILES:
CC(O)(C)C1CCC(C)=CC1c1c(O)cc(CCCCCO)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -17.086

InChIKey:
KOHRIMXUADCFNM-UHFFFAOYSA-N

ID: 125914

SMILES:
C1(O)C(C)(C)C2Cc3c(cc(CCCC)cc3O)OC1(C)CC2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 318.457

CB1 binding score: -13.366

InChIKey:
GLIJOWVWADBPDD-UHFFFAOYSA-N

ID: 125915

SMILES:
Oc1c(CC=C(C)CCC=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: 125916

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.334

InChIKey:
AAXZFUQLLRMVOG-UHFFFAOYSA-N

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125896–125916 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