Browse

Molecule Identifiers
Molecular Properties

ID: 106261

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C=C1C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -17.676

InChIKey:
UPOJLFQXVHRPRC-UHFFFAOYSA-N

ID: 106262

SMILES:
C(Oc1cc(CCc2ccccc2O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)CCCCCCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 546.836

CB1 binding score: -18.243

InChIKey:
AXWRKUWZKCFZRQ-UHFFFAOYSA-N

ID: 106263

SMILES:
C(C(=O)OC)c1c(OCCC)cc2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -12.85

InChIKey:
UFXLGGFUTFTWHO-UHFFFAOYSA-N

ID: 106264

SMILES:
CC1(C)OC2Cc3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -12.47

InChIKey:
DYKJOLYCEHMBSK-UHFFFAOYSA-N

ID: 106265

SMILES:
c1c(O)c2c(cc1CC)CC1(CC(O)C(C)(C)O1)C(C)CC2C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -15.368

InChIKey:
RAODASGESHMGLE-UHFFFAOYSA-N

ID: 106266

SMILES:
c1(CC)cc2c(cc1)C1(C=C(C)C)C(C)=CC(C)=CC13C(C)CCC(=O)C3O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.54

CB1 binding score: Not available

InChIKey:
GPRVPOSQNYTTCX-UHFFFAOYSA-N

ID: 106267

SMILES:
C1(O)C(=O)OC(C(C)=CCCC(=CCc2c(O)c(C)cc(OC)c2)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -12.598

InChIKey:
OKSXESPWQPSHNV-UHFFFAOYSA-N

ID: 106268

SMILES:
Brc1c(O)c(C)c(C2C(C(C)=C)C(c3c(C)cc(O)cc3O)CC(C)=C2)c(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 513.516

CB1 binding score: -13.522

InChIKey:
NFJYDSGYELMUNF-UHFFFAOYSA-N

ID: 106269

SMILES:
C1(C)(C)C2(CC=C(C)CC2)c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.228

InChIKey:
XQYSGOVDVJLJAU-UHFFFAOYSA-N

ID: 106270

SMILES:
CC(C)C12C(O)CC(C)=CC1c1c(O)cc(CCCCC)cc1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -10.897

InChIKey:
GAZISPKFQIQBMS-UHFFFAOYSA-N

ID: 106271

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 106272

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: 106273

SMILES:
OCCOCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -15.367

InChIKey:
WDNJFNONRKBBJQ-UHFFFAOYSA-N

ID: 106274

SMILES:
Oc1cc(C2(C)OC(C(C)(O)C)CC2O)cc(CCCC(C)C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.472

CB1 binding score: -13.39

InChIKey:
VHYPRJLZPPRPFL-UHFFFAOYSA-N

ID: 106275

SMILES:
CC(C)=CCCC1(C)Oc2cc(CCCCC)cc(O)c2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 106276

SMILES:
C1=C(C)CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 106277

SMILES:
CC(C)C(OCC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -16.373

InChIKey:
SNBUUYQSOJIASY-UHFFFAOYSA-N

ID: 106278

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CCC(C)C)cc2)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.581

InChIKey:
WZGNAPVZUVYYLU-UHFFFAOYSA-N

ID: 106279

SMILES:
C(C)(=CCc1c(O)cc(CCCCC)cc1OC)C=CC(O)C(C)(C)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -14.435

InChIKey:
KSCKUTOYSJORCZ-UHFFFAOYSA-N

ID: 106280

SMILES:
CC(C=C)(CCC1(C)C(C)Cc2c(cc(C)c(O)c2)O1)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -15.091

InChIKey:
LWKXUTKWHOMVHN-UHFFFAOYSA-N

ID: 106281

SMILES:
C1(C)=CC(c2c(O)ccc(O)c2C(=O)CCCC)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -12.515

InChIKey:
NGDKZDNSHQJRJJ-UHFFFAOYSA-N

◀5058505950605061506250635064▶
106261–106281 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