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Molecule Identifiers
Molecular Properties

ID: 139882

SMILES:
C1(O)C2(C)CC3C(C(C)(C)Oc4cc(CCCCC)cc(O)c42)CC3=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -12.434

InChIKey:
KEYCJGWVWLWSIE-UHFFFAOYSA-N

ID: 139883

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C2C(C(O)C(C)C2)C(=O)C1C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -18.714

InChIKey:
URTDIWVEWJUIMU-UHFFFAOYSA-N

ID: 139884

SMILES:
C1(OCC)c2ccc(O)cc2OC1(C)CCC=C(CCC1OC1(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.333

InChIKey:
QYJSSJMCTGPXKE-UHFFFAOYSA-N

ID: 139885

SMILES:
c1(C2C(C(C)=C)CCC(C)=C2)c(O)cc(C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.801

InChIKey:
MISWBPJELUDMFI-UHFFFAOYSA-N

ID: 139886

SMILES:
c1(C(=O)OC(C2CC=C(C)CC2)(C)C)c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -18.111

InChIKey:
IRLAKUJPWFPLKP-UHFFFAOYSA-N

ID: 139887

SMILES:
C1C(C(C)=C)C(c2c(OC)cc(CCCCC)cc2OC)C=C(C)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -16.604

InChIKey:
YWJYWCRILPEVAP-UHFFFAOYSA-N

ID: 139888

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(=C(C)CC3C=C(C)C(CC(C(O)(C)C)O3)CC1)O2)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.651

CB1 binding score: -16.205

InChIKey:
HQFYMEJDAGQVOI-UHFFFAOYSA-N

ID: 139889

SMILES:
C1(C(C)(C)O)CCC(CO)=CC1c1c(CCCCC)cc(O)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -13.368

InChIKey:
SRWUHVKPZZVQLY-UHFFFAOYSA-N

ID: 139890

SMILES:
CC1=C2C(=O)C(O)=C(C)C2C2C=C(C)C(=O)CC2C(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -16.015

InChIKey:
ZIZVBJNIBIYWIV-UHFFFAOYSA-N

ID: 139891

SMILES:
CC(C)=CC(=O)CC(=CCc1cc(O)c(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.878

InChIKey:
PAUDMDZEYHEKBN-UHFFFAOYSA-N

ID: 139892

SMILES:
C(C(=CC1c2c(cc(CCCCC)cc2O)OC1=O)C)(C)=CCCC(=CC(=O)C1=C(O)C(O)CCC1=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 522.638

CB1 binding score: -13.859

InChIKey:
HHJNAARYHGYWBM-UHFFFAOYSA-N

ID: 139893

SMILES:
c1c(CCCC(C)C(=O)CCC(=CCc2c(O)cc(C)cc2O)C)coc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids;Sesterterpenoids

Class: Cannabinoids;Norsesterterpenoids

MW: 370.489

CB1 binding score: -16.14

InChIKey:
RXMUSLUYOSFEQW-UHFFFAOYSA-N

ID: 139894

SMILES:
c1(C)c2c(c(O)cc1)Cc1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -15.895

InChIKey:
FQUHSMNPYWRQJR-UHFFFAOYSA-N

ID: 139895

SMILES:
C(CCC=C(C)C)(=CCc1c(O)c(CC=C(C)C)cc(O)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.748

InChIKey:
VRXKPPYOGGSRFK-UHFFFAOYSA-N

ID: 139896

SMILES:
CC1(C)Oc2c(OC(=O)C(C)=CC)cc(C)c(O)c2C2C1CC=C(CO)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -13.362

InChIKey:
IVMGXHMYBDTMRU-UHFFFAOYSA-N

ID: 139897

SMILES:
CCCCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 139898

SMILES:
CC1(CCC=C(C)C)Oc2c(c(O)cc(CCCCC)c2)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 139899

SMILES:
C1(C(=C)C)C(OC(=O)C)CC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -16.015

InChIKey:
KRMGHBIHTAJMCB-UHFFFAOYSA-N

ID: 139900

SMILES:
C1(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 139901

SMILES:
COc1cc2c(cc1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.725

InChIKey:
DFKRODPVBXERME-UHFFFAOYSA-N

ID: 139902

SMILES:
C1(C)(C)C2C3c4c(cc(CCCCC)cc4O)OC(C)(O)C3CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -12.048

InChIKey:
YJGXLAMWKSPUSX-UHFFFAOYSA-N

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139882–139902 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