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Molecule Identifiers
Molecular Properties

ID: 35302

SMILES:
OC(C(C)CC(c1c(O)c(O)c2c(c1)OC(C)(C)C1CC=C(C(O)=O)CC21)C=C(C)C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 446.54

CB1 binding score: -16.542

InChIKey:
JUEBGZICBICJBK-UHFFFAOYSA-N

ID: 35303

SMILES:
C(CCC)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 35304

SMILES:
C(c1c(C=O)c2c(cc1)OC(C)(C)C1CCC(C)=CC12)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cadinane sesquiterpenoids;Cannabinoids

MW: 298.426

CB1 binding score: -14.927

InChIKey:
OFWZMXOFKSQQHE-UHFFFAOYSA-N

ID: 35305

SMILES:
Oc1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 35306

SMILES:
CC1C2(C)C3(C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c13)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.148

InChIKey:
IOVNBONUZPAARQ-UHFFFAOYSA-N

ID: 35307

SMILES:
C1(C)=CC2C(C=C1)C(C)(C)Oc1c2c(OC)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -16.016

InChIKey:
VWBDIBVROJNAOP-UHFFFAOYSA-N

ID: 35308

SMILES:
C(CC)CCC1=C2C3(C(C)(C)C(C(=O)CC3C)O2)CC1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -12.268

InChIKey:
YPKHLVFAWFUZNZ-UHFFFAOYSA-N

ID: 35309

SMILES:
O1C(C)(C)C2CCC(C)(Oc3c(O)c(O)cc(CCCCC)c32)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -14.813

InChIKey:
WFRRLWKEWDJWNZ-UHFFFAOYSA-N

ID: 35310

SMILES:
C1(C)=CC(c2ccc(O)cc2C)C(C(=C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.175

InChIKey:
GJXWWWKLUZSVGM-UHFFFAOYSA-N

ID: 35311

SMILES:
C(CCCCc1cc2c(c(O)c1)C1C(C(O)(C)C)CCC(C)C1(O)O2)C=C(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.694

CB1 binding score: -14.309

InChIKey:
XSLZPAOQTVMFFD-UHFFFAOYSA-N

ID: 35312

SMILES:
O=C1OCC2=CCCC3C12c1c(cc(CCCCC)cc1O)O3

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.381

CB1 binding score: -15.571

InChIKey:
UEOJGKOSUNOVIQ-UHFFFAOYSA-N

ID: 35313

SMILES:
C(CCC)c1cc(O)c(C2CC(C(=O)O)=CCC2)c(O)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -12.64

InChIKey:
COACGDRXPFYREZ-UHFFFAOYSA-N

ID: 35314

SMILES:
CCCCCc1cc2c(c(O)c1)C1C=C(C)CCC1(O)C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.373

InChIKey:
FMQMBYWLAPERPM-UHFFFAOYSA-N

ID: 35315

SMILES:
C(CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 35316

SMILES:
c1c(CCCC(=CCc2c(OC)c(C)cc(O)c2)C)cc(CC=C(C)CCC=C(C)C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.674

CB1 binding score: -15.116

InChIKey:
NZSQTFWMXUACRT-UHFFFAOYSA-N

ID: 35317

SMILES:
OCc1cc(CCCCCC)c(C2C(C(=C)C)CCC(C)C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -15.479

InChIKey:
SSGCYJMAGOEJAT-UHFFFAOYSA-N

ID: 35318

SMILES:
Cc1cc(O)cc2oc3c(c(c2)c1O)C1CC(C)=CCC1C(C)(C)O3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.419

CB1 binding score: -14.902

InChIKey:
KJXUJZWEVTXLPB-UHFFFAOYSA-N

ID: 35319

SMILES:
c1(C)cc(C2C=C(C)CCC2C(=C)C)c(O)c(C(CC(C)C)=O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -12.679

InChIKey:
YHSMBKCQNHEPPN-UHFFFAOYSA-N

ID: 35320

SMILES:
C(CC(C)=CC(c1c(O)cc(CCCCC)cc1O)=O)CC(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.135

InChIKey:
AUOGGTSCZQGDIC-UHFFFAOYSA-N

ID: 35321

SMILES:
C1CC(C(C)(C)O)C(c2c(O)cc(CCCC)cc2O)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.141

InChIKey:
HEEJEKKEYJPCFA-UHFFFAOYSA-N

ID: 35322

SMILES:
CC1=CCC2(O)C1C(=O)C1C3(C(C)(C)C(C(C(=CC)C)O3)O2)c2cc(O)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.482

CB1 binding score: -14.902

InChIKey:
OZPKQCARCJVMKD-UHFFFAOYSA-N

1679168016811682168316841685
35302–35322 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