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Molecule Identifiers
Molecular Properties

ID: 34273

SMILES:
C12C(c3c(cc(CCCCC)cc3O)OC(C)(C)C1)CC(C)C2=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.314

InChIKey:
CPRMBJQHMYQHMJ-UHFFFAOYSA-N

ID: 34274

SMILES:
C(C)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -16.457

InChIKey:
DWPSRBAVDVANAM-UHFFFAOYSA-N

ID: 34275

SMILES:
C1=C(C)CCC(C(C)=C)C1c1c(O)cc(CC)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.389

CB1 binding score: -17.479

InChIKey:
CXRSPYMYNPYCMM-UHFFFAOYSA-N

ID: 34276

SMILES:
c1cc(CCCCCC)c2c(c1O)OC(C)(C)C1CC=C(CCC=C(C)C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -15.348

InChIKey:
DWGTXERBIKZGBZ-UHFFFAOYSA-N

ID: 34277

SMILES:
c12cc(OC)c(CCCCC)cc1OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.982

InChIKey:
GLUWKBFJPNDEDK-UHFFFAOYSA-N

ID: 34278

SMILES:
C(C1=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.053

InChIKey:
HQRKNUDGMPVIMO-UHFFFAOYSA-N

ID: 34279

SMILES:
C1C2=Cc3c(O)c(C(O)=O)c(CCCCC)cc3OC2(C)CCC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.411

InChIKey:
VGIZOPQAMNNNTB-UHFFFAOYSA-N

ID: 34280

SMILES:
CC(C)=CCCC(CC)=CCc1cc(OC)cc(C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -16.498

InChIKey:
VCVPUNIUJJSRMX-UHFFFAOYSA-N

ID: 34281

SMILES:
C1=C(C)CCC=C(C)CCC2C(C)(C)Oc3c(c(O)c(C=CCCC)c(O)c3O)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -16.063

InChIKey:
XMRDYONRJXKJOI-UHFFFAOYSA-N

ID: 34282

SMILES:
C(=O)(O)C(=CCc1c(O)c2c(c(C(=O)CC)c1O)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.498

CB1 binding score: -15.929

InChIKey:
QJVYGBFTGCVDQD-UHFFFAOYSA-N

ID: 34283

SMILES:
C1(Cc2c(O)cc(CCCCC)cc2O)OC(=O)C(CCC=C(CCC=C(C)C)C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.624

CB1 binding score: -14.288

InChIKey:
UBKOENMNXZCGNY-UHFFFAOYSA-N

ID: 34284

SMILES:
O1C2(c3c(cc(CCCCC)cc3O)OC3(C2O)C(C)CC=C3C(C)C=CC=C(C)C)CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.662

CB1 binding score: -13.316

InChIKey:
LMRVKIKDZWAPPD-UHFFFAOYSA-N

ID: 34285

SMILES:
CCCCCc1c(O)c2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.344

InChIKey:
JOBXFRKEYIYOHE-UHFFFAOYSA-N

ID: 34286

SMILES:
CC(C)=CCCC1(C)C(CCC)C(O)Cc2cc(O)ccc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -13.799

InChIKey:
WRCCIWMPHKZWRF-UHFFFAOYSA-N

ID: 34287

SMILES:
CC1(C2=Cc3c(c(C)cc(O)c3)OC2(C)C)CCC(CCC)=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -17.566

InChIKey:
DPRLHQPNLXJYIH-UHFFFAOYSA-N

ID: 34288

SMILES:
O1c2c(cc(CCCCC)cc2O)CC(C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 234.339

CB1 binding score: -16.344

InChIKey:
GEVYZCYCIJUGJL-UHFFFAOYSA-N

ID: 34289

SMILES:
C(CCCc1cc(O)c2c(c1)C(C)(C)Oc1cc(O)cc(C)c12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -16.263

InChIKey:
QJIMMHQMUYODDW-UHFFFAOYSA-N

ID: 34290

SMILES:
C(CCCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -16.998

InChIKey:
DAOBMYOFOPZVGI-UHFFFAOYSA-N

ID: 34291

SMILES:
Oc1c2c(c(C(C=C)(C)CCC=C(C)C)cc1)OC(C)(C)C1C2CC(C)(O)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.929

InChIKey:
VWPAKQBNRZNNHX-UHFFFAOYSA-N

ID: 34292

SMILES:
C12(CC(O)c3c(O)cc(CCCCC)cc3O1)C(=O)C1(O)C(C2=O)C=CC(=O)C1(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 496.6

CB1 binding score: -13.951

InChIKey:
FOVYWCPLPAFEAM-UHFFFAOYSA-N

ID: 34293

SMILES:
C(CCC)Cc1cc2c(cc1)OC(C)(C)C1CCC(COC(C)=O)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.085

InChIKey:
BPDHQBYEOQAILQ-UHFFFAOYSA-N

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34273–34293 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