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Molecule Identifiers
Molecular Properties

ID: 81313

SMILES:
C(C=CCC)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(OC)=O)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: Not available

InChIKey:
PMDDKDISECBZBU-UHFFFAOYSA-N

ID: 81314

SMILES:
c1(CCCCC)cc(O)c2c(c1O)OC(C)(C)C1C2CC(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -16.929

InChIKey:
XTVHBIMUPSVOEJ-UHFFFAOYSA-N

ID: 81315

SMILES:
C1C=C(C)CCC2C(C)(C)Oc3cc(CCCCC)c(C(OC)=O)c(OC)c3C2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.558

CB1 binding score: -16.879

InChIKey:
CONLSHNFMADOLT-UHFFFAOYSA-N

ID: 81316

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C(C(CO)(CCC=C(C)C)CCC1(C)C=C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -15.986

InChIKey:
FJZSBSJZRNZKCL-UHFFFAOYSA-N

ID: 81317

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C3C1(C)CCC1(C)C2(O)CCC(C(=O)OC)C13

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: -15.592

InChIKey:
WXKMWQCFMKWGPY-UHFFFAOYSA-N

ID: 81318

SMILES:
c1(O)c2c(cc(C=Cc3cc(-c4c(C(CC)C)cc(CC=C)cc4)c3)c1O)OC(C)(C)C1C2C=C(C)CC1

Pathway: Shikimates and Phenylpropanoids;Terpenoids

Superclass: Meroterpenoids;Stilbenoids

Class: Cannabinoids;Monomeric stilbenes

MW: 508.702

CB1 binding score: -15.651

InChIKey:
JXQLBMSZBLQUQJ-UHFFFAOYSA-N

ID: 81319

SMILES:
C1CC2C(C3C(C)(CC=CC(=C)C)OC13)Oc1cc(C)cc(O)c12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -14.396

InChIKey:
MAMRKVPIPVKMPZ-UHFFFAOYSA-N

ID: 81320

SMILES:
C(=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 81321

SMILES:
c1(CCCCCO)cc(OC)c2c(c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.217

InChIKey:
SAVGBPZPBAMYIX-UHFFFAOYSA-N

ID: 81322

SMILES:
O=C1CC(C)(C)Oc2c(CCCCC)cc(O)c(C(=O)C(CC)C)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -13.866

InChIKey:
JCFJFECNNIHTJD-UHFFFAOYSA-N

ID: 81323

SMILES:
c1(CCCCC)cc(O)c2c(c1O)C1CC(C)=CCC1CC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -14.317

InChIKey:
FBPZDECMOMKTJM-UHFFFAOYSA-N

ID: 81324

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1(O)C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -14.874

InChIKey:
RGCBXSVRUWUSAL-UHFFFAOYSA-N

ID: 81325

SMILES:
C(=C(C)CC(=O)C=C(C)C)Cc1c(O)c(C(=O)O)c(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 374.477

CB1 binding score: -17.854

InChIKey:
QZSBEPASIIIAGQ-UHFFFAOYSA-N

ID: 81326

SMILES:
C(C)Cc1cc(O)c(C2C(C(C)C)CCC(C)=C2)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cadinane sesquiterpenoids;Cannabinoids

MW: 272.432

CB1 binding score: -19.328

InChIKey:
YHUODCAWVDJHGS-UHFFFAOYSA-N

ID: 81327

SMILES:
c1c(CCCCC)cc(O)c(CC=C(CCC(O)C(C)(C)OC)C)c1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.526

CB1 binding score: -18.01

InChIKey:
ICWXSTTXJKJXGR-UHFFFAOYSA-N

ID: 81328

SMILES:
c1(CCCC)cc(O)c2c(c1)C1C(C(C)(C)O2)CC=C(C(=O)O)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -14.171

InChIKey:
CWQJORIKILUECM-UHFFFAOYSA-N

ID: 81329

SMILES:
c1(CCCCC)c(C(=O)O)c(O)c2c(c1)OC(C)(C)C1CCC(O)(C(O)C1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.492

CB1 binding score: -14.605

InChIKey:
SFYKLBIVOZAUDT-UHFFFAOYSA-N

ID: 81330

SMILES:
c1(CC2(O)CC(O)C(C(C)(O)C)OC2)cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.573

CB1 binding score: -14.101

InChIKey:
LRMVXFRAWSVUND-UHFFFAOYSA-N

ID: 81331

SMILES:
OC12C3c4c(cc(CCCCC)cc4O)OC(C)(C)C3CCC1(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.139

InChIKey:
XWKKHRORYPWUQQ-UHFFFAOYSA-N

ID: 81332

SMILES:
c1(C)c(-c2c(O)c(O)c(C(C)C)cc2)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.538

CB1 binding score: -16.392

InChIKey:
AJUBZJDEOKNSCE-UHFFFAOYSA-N

ID: 81333

SMILES:
c12cc(CCCCC)cc(OC)c1OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.591

InChIKey:
SXHKEQJANIQGQU-UHFFFAOYSA-N

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81313–81333 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