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Molecule Identifiers
Molecular Properties

ID: 51934

SMILES:
c1(OC)c(O)c(C)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -18.249

InChIKey:
BCELDCLXKODAIY-UHFFFAOYSA-N

ID: 51935

SMILES:
C(C1=C(C)CCC1C(C)=C)C1(C)Oc2c(C)cc(O)cc2C=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -15.355

InChIKey:
NEAYPHBEUFEYPC-UHFFFAOYSA-N

ID: 51936

SMILES:
C(CCC)Cc1cc(O)c2c3c1OC(C)(C)C1CCC(C)(O)C2CCC(C)(O1)C3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.575

CB1 binding score: -15.562

InChIKey:
OIPINXCASNZBIU-UHFFFAOYSA-N

ID: 51937

SMILES:
C(CCC)Cc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 51938

SMILES:
CC1=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(CCC=C(C)CCC=C(C)C)(C)C2CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 510.715

CB1 binding score: -15.865

InChIKey:
WXXWGSTYUVWKCV-UHFFFAOYSA-N

ID: 51939

SMILES:
C1(OC(CCC)=O)C2(O)c3c(cc(CCCCC)cc3OC)OC(CCC=C(C)C)(C)C2CC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 512.731

CB1 binding score: -13.681

InChIKey:
NGJONNLRXPKOQG-UHFFFAOYSA-N

ID: 51940

SMILES:
C1(C)C2C3C(c4c(cc(CC(C)C)cc4OC)OC3C(C)(O)C)CC3OC3(C)C2CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -15.116

InChIKey:
RMWNXRPNXMPDRX-UHFFFAOYSA-N

ID: 51941

SMILES:
C(C)Cc1cc(O)c2c(c1O)C1C3(C(CO)=CCC21)COC(C)(C)C3O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -15.541

InChIKey:
BAVYDWREEKDQQH-UHFFFAOYSA-N

ID: 51942

SMILES:
C(CCc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 318.413

CB1 binding score: -18.016

InChIKey:
OVJKPQKAIHSVBC-UHFFFAOYSA-N

ID: 51943

SMILES:
c1(C(OC)=O)cc2c(cc1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -17.064

InChIKey:
YHEZFVQXCNHHBC-UHFFFAOYSA-N

ID: 51944

SMILES:
Oc1cc(CCCCC)cc2c1-c1c(O)c(C)ccc1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -18.957

InChIKey:
RKPJLXZTEWJEAM-UHFFFAOYSA-N

ID: 51945

SMILES:
Oc1c2c(cc(C(OC)C(OC(O)=O)C(C)(C)O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.502

CB1 binding score: -16.481

InChIKey:
OJAKSNNFQRNAKE-UHFFFAOYSA-N

ID: 51946

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 51947

SMILES:
C1=CC2C(=CC1=O)C(CC=C(CCC=C(C)C)C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.62

CB1 binding score: -15.229

InChIKey:
BAGROXNAVQKOQB-UHFFFAOYSA-N

ID: 51948

SMILES:
c1(O)c(C2C(C(C)C)CCC(C)=C2)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: 51949

SMILES:
C1=C(C=O)C2(OC(C)(C)CC2)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -16.495

InChIKey:
FREDUOWPZVCIQA-UHFFFAOYSA-N

ID: 51950

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C3(C)C(CC(O)C(C)(C)O3)C(=O)C(C)(O)C12C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 432.557

CB1 binding score: -16.542

InChIKey:
SYQXQIMMMXGRAZ-UHFFFAOYSA-N

ID: 51951

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 51952

SMILES:
C1(=O)C2=C(c3c(cc(CCCCC)cc3O)OC1(C)C)OC(C)(C)C(=O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -15.061

InChIKey:
HENDSHFKVRPROI-UHFFFAOYSA-N

ID: 51953

SMILES:
C1(Cc2c(O)cc(CCCCC)cc2O)C(O)(C)CCC1=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -13.842

InChIKey:
LRENIHWPOABXDP-UHFFFAOYSA-N

ID: 51954

SMILES:
C1(C)=CCC2C(C)(C)Oc3cc(CCc4ccccc4)ccc3C2CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.514

CB1 binding score: -15.012

InChIKey:
NTRXRJYKCBVZSX-UHFFFAOYSA-N

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51934–51954 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