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Molecule Identifiers
Molecular Properties

ID: 115291

SMILES:
c12c(cc(CCCCC)cc1O)OC1(C)CCCC3(C)C1C(CC2C)OC3O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -15.116

InChIKey:
NNPKUTQTRFRAKX-UHFFFAOYSA-N

ID: 115292

SMILES:
C(C)(C)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -16.438

InChIKey:
CMWKQFUCAVPJMY-UHFFFAOYSA-N

ID: 115293

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1=C(CC(C(=C)C)CC=C(C)C)C(=O)C(C)C1C1=C2C=CC(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 500.723

CB1 binding score: -14.802

InChIKey:
ZXAOVBZOXFCMQA-UHFFFAOYSA-N

ID: 115294

SMILES:
C12C(O)C(=O)C(CO)=CC1c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -15.306

InChIKey:
NPGHMTTWKXNFQW-UHFFFAOYSA-N

ID: 115295

SMILES:
CC1(C)C2CC(SCC2OC)c2cc(O)c(C)cc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 294.416

CB1 binding score: -15.08

InChIKey:
SFJHEVUPQWGCOB-UHFFFAOYSA-N

ID: 115296

SMILES:
C(C)(C)(OC)Cc1c(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.214

InChIKey:
VRUGTMZGNADWIB-UHFFFAOYSA-N

ID: 115297

SMILES:
C1C2C(C(C)C1)C(C)(C)Oc1c2ccc(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 230.351

CB1 binding score: -16.758

InChIKey:
RDCHCSGDSCMSJB-UHFFFAOYSA-N

ID: 115298

SMILES:
c1c(CCCCC)cc2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -19.248

InChIKey:
ULSCPFQNHAPIEH-UHFFFAOYSA-N

ID: 115299

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.748

InChIKey:
ORIYPICUSOGUOA-UHFFFAOYSA-N

ID: 115300

SMILES:
C=Cc1cc(O)c(C2C=C(C)CCC2C(C)=CCC=C(C)C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.491

CB1 binding score: -16.728

InChIKey:
JUDVKEHMCJZZBW-UHFFFAOYSA-N

ID: 115301

SMILES:
C1(C(C)(C)O)CCC(C)=CC1c1c(O)cc(CC(O)C(C)(C)O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -16.934

InChIKey:
LQEGXEDHXQBYGJ-UHFFFAOYSA-N

ID: 115302

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)c1c-2cc(C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 115303

SMILES:
C(CCCC(C)=CCc1cc(O)c(C)c(O)c1)(C)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.42

CB1 binding score: -11.186

InChIKey:
DTGBKOJBDANGEI-UHFFFAOYSA-N

ID: 115304

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 115305

SMILES:
C1C2(C)Oc3cc(O)cc(C)c3CC(C(=C)C)CC2=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -15.646

InChIKey:
UEWZOYFESBDPJU-UHFFFAOYSA-N

ID: 115306

SMILES:
C(c1cc(O)c2c(c1O)C=CC(C)(CCC=C(C)C)O2)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.619

InChIKey:
ADXDOXHSRNCOQZ-UHFFFAOYSA-N

ID: 115307

SMILES:
CCCc1cc(O)c2c(c1)OC(C)(C)C1C2C(O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -17.135

InChIKey:
ANOGZAGMSHVDCE-UHFFFAOYSA-N

ID: 115308

SMILES:
C(Cc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1C(=O)O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -19.667

InChIKey:
FAVCTJGKHFHFHJ-UHFFFAOYSA-N

ID: 115309

SMILES:
C1(CCCC(C)CO)(C)C=Cc2c(OC)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -15.717

InChIKey:
FDCLCRMTHIHHRV-UHFFFAOYSA-N

ID: 115310

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 115311

SMILES:
c1(O)c(C(O)(C)CO)cc2c(c1O)C(OC)C1C(C(C)(C)O2)CCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.454

CB1 binding score: -16.166

InChIKey:
IURACRYIUKGAKO-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties