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Molecule Identifiers
Molecular Properties

ID: 66235

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -12.914

InChIKey:
RDLSNXKKYWMUJX-UHFFFAOYSA-N

ID: 66236

SMILES:
C1(C)C2=C(c3c(cc(CCCCC)cc3O)OC2(C)C)C(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.123

InChIKey:
GHQONYDAWDGDJE-UHFFFAOYSA-N

ID: 66237

SMILES:
C12C=C(C)CCC1C(C)(C)Oc1c2c(O)ccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.988

InChIKey:
FDECQIAQAVZRFF-UHFFFAOYSA-N

ID: 66238

SMILES:
CC1=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 66239

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 384.604

CB1 binding score: -20.123

InChIKey:
WYEFRBILENQYOH-UHFFFAOYSA-N

ID: 66240

SMILES:
O1C2(C(=O)OC)Cc3c(cc(CCCC)cc3O)OC2(C(=CCl)C)C1=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.824

CB1 binding score: -16.002

InChIKey:
YCUUVHJCJBZNDU-UHFFFAOYSA-N

ID: 66241

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1=C(C(C)(CCC=C(C)CCC=C(C)C)CO1)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.653

CB1 binding score: -14.937

InChIKey:
BCZBXSVMNMZANY-UHFFFAOYSA-N

ID: 66242

SMILES:
C(CCCCCCC(OCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)=O)CCCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 526.802

CB1 binding score: -17.123

InChIKey:
QYXCNYQEVUWZRK-UHFFFAOYSA-N

ID: 66243

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 66244

SMILES:
C(C(C)CC1OC2(C(CC)=C(C)C(=O)c3c(O)c(C)cc(O)c3C2)C(C(C)C)C1)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.624

CB1 binding score: -15.318

InChIKey:
ZEFXBSUHQWMNJE-UHFFFAOYSA-N

ID: 66245

SMILES:
CC(=CCCC(C)=CCCC1(C)C=Cc2c(cc(CCCCC)c(C(=O)OC)c2O)O1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.624

CB1 binding score: -16.714

InChIKey:
WPLYVNNPORFVPU-UHFFFAOYSA-N

ID: 66246

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.334

InChIKey:
OCTQIDRSDSFRBW-UHFFFAOYSA-N

ID: 66247

SMILES:
C(C(C)=CCCC(C)=CCc1c(O)cc(CC(O)=O)cc1O)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 372.505

CB1 binding score: -17.443

InChIKey:
DVKQDVPBGLVMDY-UHFFFAOYSA-N

ID: 66248

SMILES:
C1(=O)C2(O)C(C3OC31C)C(C)(C)Oc1c(c(O)cc(CCCC)c1)C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.422

CB1 binding score: -13.39

InChIKey:
HTYFKYNYUXTKQL-UHFFFAOYSA-N

ID: 66249

SMILES:
C1(CCC(C)=O)C(C)(C)Oc2cc(CCCCC)c(C#CC(=C)C)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.518

CB1 binding score: -14.263

InChIKey:
WBGYHTDBPXQKNA-UHFFFAOYSA-N

ID: 66250

SMILES:
C(CCC)Cc1cc(O)c2c3c1C(OC(C)=O)OC(=O)C3C(O)CC2C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.46

CB1 binding score: -13.371

InChIKey:
SKSXNDFHZMYINK-UHFFFAOYSA-N

ID: 66251

SMILES:
CC1(C)Oc2cc(CC3(CC(=O)C)OC3(C)C)ccc21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -16.499

InChIKey:
CZCUODXLMWUXNL-UHFFFAOYSA-N

ID: 66252

SMILES:
C(c1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1CCCCC)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 344.495

CB1 binding score: -15.436

InChIKey:
VMZPERRNHXMSKX-UHFFFAOYSA-N

ID: 66253

SMILES:
C12(C)c3c(O)cc(CCCCC)cc3C(=O)C(O)=C1CC(C)(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -13.551

InChIKey:
JYNMCRJUTFGYSA-UHFFFAOYSA-N

ID: 66254

SMILES:
c1(C(C)(CCCC(C)C)O)cc(O)c2c(c1)OC(C)(C)C1C2C(O)C(C)(O)C(O)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.562

CB1 binding score: -13.635

InChIKey:
RGHKFQYWEGCVOM-UHFFFAOYSA-N

ID: 66255

SMILES:
C1C2(C)CC(C)(CC1c1c(O)cc(CCC)cc1OC)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -15.721

InChIKey:
GLMSWFUFPSODHQ-UHFFFAOYSA-N

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66235–66255 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