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Molecule Identifiers
Molecular Properties

ID: 107185

SMILES:
C(C=C(C)C)c1c2c(cc(C(C)(C)O)c1)OC(C)(C)C1C2C(O)C(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -17.274

InChIKey:
ZSVRDBBZJSZHNA-UHFFFAOYSA-N

ID: 107186

SMILES:
C1C(O)C(C)(C)Oc2c1ccc(CCCCCCC)c2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.42

CB1 binding score: -15.509

InChIKey:
HJXORUICGOPBDT-UHFFFAOYSA-N

ID: 107187

SMILES:
Oc1c(CC=C(CCC=C(CCC=C(C)C)C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 384.604

CB1 binding score: -20.123

InChIKey:
WYEFRBILENQYOH-UHFFFAOYSA-N

ID: 107188

SMILES:
Oc1c(C2C=C(C)CCC2C(C)=C)c(O)c(CC(C(O)(C)C)OC(C(C)=CC)=O)cc1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 468.634

CB1 binding score: -16.015

InChIKey:
AJFRQICIYANVMP-UHFFFAOYSA-N

ID: 107189

SMILES:
Oc1cc(CCCCC)cc2c1C1C(CC=C(CCC=C(C)C)C1=O)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -15.929

InChIKey:
ZXBZUVJVEJPJSN-UHFFFAOYSA-N

ID: 107190

SMILES:
C(c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CCC=CCCCC=CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.707

CB1 binding score: -12.769

InChIKey:
XSVLULSZGNHXCY-UHFFFAOYSA-N

ID: 107191

SMILES:
C(Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -17.691

InChIKey:
ZBBXHJRPBQMOEE-UHFFFAOYSA-N

ID: 107192

SMILES:
O=C(C1=C(C)CCC1)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.474

CB1 binding score: -11.334

InChIKey:
OLYFTOZSBGYAMT-UHFFFAOYSA-N

ID: 107193

SMILES:
C1=C(C(C)(O)C)CC2C(C)(Oc3cc(CCCCC)cc(O)c3C2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.358

InChIKey:
GXTUYDGCZBHTAF-UHFFFAOYSA-N

ID: 107194

SMILES:
CC(CCC=C(C)C)=CCc1c(O)c2c(c(O)c1)C(CCO)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.058

InChIKey:
MCLWOFGUWMCLIR-UHFFFAOYSA-N

ID: 107195

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)C(=O)C=C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -17.611

InChIKey:
VMRYGTPYSSTTMY-UHFFFAOYSA-N

ID: 107196

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -17.098

InChIKey:
CYYBJMFYWOOUPL-UHFFFAOYSA-N

ID: 107197

SMILES:
C(C)(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -21.398

InChIKey:
WPVARKYNWHKQMW-UHFFFAOYSA-N

ID: 107198

SMILES:
c1(Cc2ccccc2OC)c(O)cc2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.485

CB1 binding score: -16.268

InChIKey:
PEGGZHBJCCYEQR-UHFFFAOYSA-N

ID: 107199

SMILES:
c1(CC(O)=O)cc(O)c(C2C(C(=C)C)CCC(C)=CC2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -14.906

InChIKey:
HNZJAELMOZLUOD-UHFFFAOYSA-N

ID: 107200

SMILES:
C1(O)C(C)=CC2c3c(OC)cc(CCCCC)cc3OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.5

InChIKey:
RPLKKIAMEMEPBV-UHFFFAOYSA-N

ID: 107201

SMILES:
Oc1c(C2(CO)C(O)C(C=C(C)C)O2)c(O)cc(CCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 308.374

CB1 binding score: -15.643

InChIKey:
NBEZDAUVDHSTHW-UHFFFAOYSA-N

ID: 107202

SMILES:
Oc1cc(C)cc(O)c1C1C(C(=C)C)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 107203

SMILES:
C(=CCCCc1c(O)cc(O)c(C2C(C(=C)C)CCC(C)=C2)c1O)(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.625

CB1 binding score: -15.427

InChIKey:
ADPMJSPAJKXLLS-UHFFFAOYSA-N

ID: 107204

SMILES:
c1(CCCCC)cc2c(c(O)c1)C=C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -17.317

InChIKey:
PGYNWVWZRPEZGM-UHFFFAOYSA-N

ID: 107205

SMILES:
c1(OC(=O)C)c(C)cc(Oc2c(CC=C(C)CCC=C(C)CCC=C(C)C)c(O)cc(CCCCC)c2)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 532.765

CB1 binding score: -13.522

InChIKey:
CNLCQQJCRWNBJK-UHFFFAOYSA-N

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107185–107205 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