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Molecule Identifiers
Molecular Properties

ID: 134128

SMILES:
C1(C)=CC(c2c(O)cc(CCCCCO)cc2OC)C(C(C)(O)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -17.086

InChIKey:
KOHRIMXUADCFNM-UHFFFAOYSA-N

ID: 134129

SMILES:
C=C(C)C1CCC(C)=CC1c1c(O)cc(O)cc1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.798

InChIKey:
KDZOUSULXZNDJH-UHFFFAOYSA-N

ID: 134130

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC=C(CO)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.832

InChIKey:
LOUSQMWLMDHRIK-UHFFFAOYSA-N

ID: 134131

SMILES:
C(c1c(CC=C(C)C)c(O)c(C=O)c(C2C(C(C)=C)CCC(C)=C2)c1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -11.745

InChIKey:
CUOHSUBRMJAOKG-UHFFFAOYSA-N

ID: 134132

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -19.169

InChIKey:
FCNLMUQPSJEBQE-UHFFFAOYSA-N

ID: 134133

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.223

InChIKey:
FFVGGXPVOYTGER-UHFFFAOYSA-N

ID: 134134

SMILES:
CC1CCC(C(C)C)C(c2c(O)cc(CCC)cc2O)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.447

CB1 binding score: -19.319

InChIKey:
VNFNICPIQJPBJY-UHFFFAOYSA-N

ID: 134135

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 134136

SMILES:
c1(O)cc(OC)c(Cl)c(O)c1C1C(C(C)=C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 308.805

CB1 binding score: -16.146

InChIKey:
UNFRIQIFPHRQOF-UHFFFAOYSA-N

ID: 134137

SMILES:
C1C(C(C)=C)C(c2c(O)cc(CCCCCC)cc2OC)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.077

InChIKey:
ZIKXLTXYADKTKX-UHFFFAOYSA-N

ID: 134138

SMILES:
C1C(C)=CC(c2c(O)cc(C(CC(CCC=C(C)C)C(O)=O)=O)cc2O)C(C(C)=C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.553

CB1 binding score: -15.429

InChIKey:
BBTCNXAVKGQNHH-UHFFFAOYSA-N

ID: 134139

SMILES:
CC(C)C1CC(O)C(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.238

InChIKey:
BJYXQJGARPKCEI-UHFFFAOYSA-N

ID: 134140

SMILES:
C(=C(C)C)CCC(C)(O)C1COc2c1c(O)cc(CCCCC)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -15.384

InChIKey:
PMSMCCLNHGOLLV-UHFFFAOYSA-N

ID: 134141

SMILES:
C1(CCC=C(C)C)(C)Oc2c(cc(CCCCC)cc2O)CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -15.236

InChIKey:
BTJDBMQFTFQHEE-UHFFFAOYSA-N

ID: 134142

SMILES:
C12C(O)(CC(Br)C(O)(C)C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 427.379

CB1 binding score: -16.653

InChIKey:
UMQADZDOYKAURL-UHFFFAOYSA-N

ID: 134143

SMILES:
CC1(C)C2CC=C(C(O)=O)CC2c2cc(C(=O)OC)c(O)cc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.352

CB1 binding score: -16.818

InChIKey:
UFYAELMAOSSNTQ-UHFFFAOYSA-N

ID: 134144

SMILES:
O(c1cc(CCCCC)cc(O)c1CC=C(C)CCC=C(C)C)C1=C(C)C(=O)OC(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.596

CB1 binding score: -14.485

InChIKey:
HIURNZQXAROJMT-UHFFFAOYSA-N

ID: 134145

SMILES:
C1(c2c(O)cc(CCC)cc2OC)CC(C(C)=C)C(C)(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -14.966

InChIKey:
DYNRRDDGZJDVGW-UHFFFAOYSA-N

ID: 134146

SMILES:
c12c(c(O)cc(CCCCC)c1)C1=C(CCC(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.622

InChIKey:
NEBZNJDFIPBXCS-UHFFFAOYSA-N

ID: 134147

SMILES:
OC(Oc1c(CCCCC)cc2c(c1)CC1C(C)(CCC=C2C)C1)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -15.448

InChIKey:
OQGSIGMKRCBOFE-UHFFFAOYSA-N

ID: 134148

SMILES:
C12C(CCC(=C)C2)C(C)(C)Oc2c1c(O)cc(CCc1ccc(O)cc1)c2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.485

CB1 binding score: -13.955

InChIKey:
ZYIRXBAMEMYBPL-UHFFFAOYSA-N

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134128–134148 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