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Molecule Identifiers
Molecular Properties

ID: 134254

SMILES:
CC(C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 134255

SMILES:
c1c(O)c2c(c(OC)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.044

InChIKey:
GUYFDVCWQNSRBM-UHFFFAOYSA-N

ID: 134256

SMILES:
C(C)(CC=CC(CCC=C(COC(C)=O)C)C)=CCc1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -17.359

InChIKey:
GMWYSRQFFYEJSO-UHFFFAOYSA-N

ID: 134257

SMILES:
C12C(Oc3cc(CCCCC)ccc13)C1(C)C(C)(C)C2C(CO)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -13.832

InChIKey:
VYRKVEAHHQJTQG-UHFFFAOYSA-N

ID: 134258

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1CC(CCC(C(C)=C)O)(C)CCOC(C)(C)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.657

CB1 binding score: -14.011

InChIKey:
OWAAHPIRNZWTHE-UHFFFAOYSA-N

ID: 134259

SMILES:
CC(=CCCC1(C)C(Cc2cc(O)c(CCC(CC)O)cc2O)C(C(=C)C)CC1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -15.972

InChIKey:
PDBGZMBJSHUVDG-UHFFFAOYSA-N

ID: 134260

SMILES:
C1(C)=C(c2cc(O)c(O)cc2)CC(=O)C1Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(OC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 474.597

CB1 binding score: Not available

InChIKey:
VXIZFOMYVZTIIK-UHFFFAOYSA-N

ID: 134261

SMILES:
C1(C)(O)CC2C3C2C(C(C)(C)Oc2cc(CCCCC)cc(O)c21)CC3(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -14.21

InChIKey:
WVGSRYBOGOVMPT-UHFFFAOYSA-N

ID: 134262

SMILES:
C(CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)CCCCCCCCCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 496.82

CB1 binding score: -17.083

InChIKey:
HYFMDXPESIMUMX-UHFFFAOYSA-N

ID: 134263

SMILES:
Oc1c(C(CC(C)C)=O)cc(C2C=C(C)CCC2C(C)=C)c(O)c1C(=O)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -15.246

InChIKey:
FIBCJIKSYPXJTJ-UHFFFAOYSA-N

ID: 134264

SMILES:
CC(OCC1(C)C2CC=C(C)CC2c2c(O)cc(CCCCC)cc2O1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -16.588

InChIKey:
VALFTQDTUAQASO-UHFFFAOYSA-N

ID: 134265

SMILES:
c1(O)c(CC=C(CCC=C(C)C)C)c2c(c(O)c1)C(=O)CC(C)(OC(CCC)=O)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -16.158

InChIKey:
OUUNZQYJENZLQM-UHFFFAOYSA-N

ID: 134266

SMILES:
C1CC(C(=C)C)C(c2c(O)cc(CCCCC)cc2OC)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -17.148

InChIKey:
ABJRVIIXYLGUAC-UHFFFAOYSA-N

ID: 134267

SMILES:
C1CC(C)=CC(c2c(OC)cc(OC)cc2O)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.522

InChIKey:
OMCRWSOWKRYXHB-UHFFFAOYSA-N

ID: 134268

SMILES:
C12(O)C(O)C(=O)C(CO)=CC1c1c(O)cc(CCCCC)cc1OC(C)(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.476

CB1 binding score: -15.754

InChIKey:
KRRBCLNIHLVIIR-UHFFFAOYSA-N

ID: 134269

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C=C(C)C(=O)CC2C1=C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -14.147

InChIKey:
VYEIWORXDXJEAE-UHFFFAOYSA-N

ID: 134270

SMILES:
Oc1c(O)c(C=O)c2c(c1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.342

CB1 binding score: -18.256

InChIKey:
WRSKQJFLYITYCW-UHFFFAOYSA-N

ID: 134271

SMILES:
c12cc(OC)cc(O)c1OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -16.771

InChIKey:
JVDBKMJLEHCFLG-UHFFFAOYSA-N

ID: 134272

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(O)(C)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.25

InChIKey:
PGZISGZFEFJPOZ-UHFFFAOYSA-N

ID: 134273

SMILES:
C123OC1(C(C)C)C(C(Oc1ccc(CCCCC)cc1OCC=C(C)C)C(C)(C)O2)CC(C)C3=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.677

CB1 binding score: Not available

InChIKey:
JQWXYVBODZFFPX-UHFFFAOYSA-N

ID: 134274

SMILES:
CC1=CC2c3c(cc(CCCCC)cc3O)OC(C(C)(C)C2=O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.943

InChIKey:
BOKRCSNQOAESQB-UHFFFAOYSA-N

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134254–134274 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