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Molecule Identifiers
Molecular Properties

ID: 137215

SMILES:
C1CC(C)=CC2C1C(C)(C)Oc1c2cc(O)c(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -19.623

InChIKey:
MUNXTPXTGBOZLU-UHFFFAOYSA-N

ID: 137216

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.57

InChIKey:
LURPWARMGYBTPS-UHFFFAOYSA-N

ID: 137217

SMILES:
C12CCC3(C)C(O3)C1c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.791

InChIKey:
VSQGBNUBIDZRPJ-UHFFFAOYSA-N

ID: 137218

SMILES:
Clc1c(C)cc(O)c(C2C(C(=C)CO)CCC(C)=C2)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 308.805

CB1 binding score: -15.407

InChIKey:
PPJNOPGHHHPZOK-UHFFFAOYSA-N

ID: 137219

SMILES:
C(CCCc1cc2c(c(C)c1)OC(CCC=C(C)C)(C)C=C2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -15.673

InChIKey:
PFNWFURUUUVMNE-UHFFFAOYSA-N

ID: 137220

SMILES:
NCCc1cc(O)c(C2C=C(CO)CCC2C(C)=C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 303.402

CB1 binding score: -14.534

InChIKey:
BBCSEWDNWMRCIK-UHFFFAOYSA-N

ID: 137221

SMILES:
C1(C(=C)C)CCC(O)(C)C2Oc3cc(CCCCC)ccc3C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.086

InChIKey:
XFIUXPHSOUMMMH-UHFFFAOYSA-N

ID: 137222

SMILES:
C(c1c(C2C=C(C)CCC2C(C)=C)c(O)c2c(c1)OC(C)(C)C=C2)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.447

CB1 binding score: -12.754

InChIKey:
IITBPPSGFQTTQW-UHFFFAOYSA-N

ID: 137223

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(OC)c2C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 137224

SMILES:
C1CC=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1C=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -13.127

InChIKey:
VVCRLQPDSWPUKO-UHFFFAOYSA-N

ID: 137225

SMILES:
C12(C)CC(c3c(O)ccc(CCCCC)c3)C(=O)C(=C(C)C)C1(OC)CC(CO)=CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -16.74

InChIKey:
IPAMJPUUARCEAB-UHFFFAOYSA-N

ID: 137226

SMILES:
C12C(C(C)C)CCC1(C)C1C(=C(C)C(=O)C2)c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -11.814

InChIKey:
SFGGOFWSUBWISZ-UHFFFAOYSA-N

ID: 137227

SMILES:
C1C(C)(C(Oc2ccc(-c3ccc(CCCCC)cc3O)cc2OC)=O)CC=C(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.565

CB1 binding score: -15.391

InChIKey:
PHQVHXBFZGBNMD-UHFFFAOYSA-N

ID: 137228

SMILES:
Oc1c(C2C(C(C)=C)CCC(C)=CC2=O)c(CCCCC)cc(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.015

InChIKey:
ACAYJFBOTZGVPT-UHFFFAOYSA-N

ID: 137229

SMILES:
C(CC)CCc1cc(OC(=O)C(CC(=O)CC(C)C)(C)C)cc2c1CCC(C(=C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -13.766

InChIKey:
HORKOUPGIIZPEA-UHFFFAOYSA-N

ID: 137230

SMILES:
C1CC(C(C)(O)C)C(c2c(O)cc(CCC)cc2O)CC1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.446

CB1 binding score: -18.587

InChIKey:
KPBJTVIGTRQSAX-UHFFFAOYSA-N

ID: 137231

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C12CCOC2=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -15.306

InChIKey:
ANJPZALKWMRVRB-UHFFFAOYSA-N

ID: 137232

SMILES:
CC(=C)C(=O)Oc1cc(CCCCC)cc(O)c1C1(C(C)C)CCC(C(=O)O)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -13.432

InChIKey:
FOIGNMYPPKKUBC-UHFFFAOYSA-N

ID: 137233

SMILES:
N(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 301.43

CB1 binding score: -16.915

InChIKey:
SBXZZRPUKKXNTP-UHFFFAOYSA-N

ID: 137234

SMILES:
c1c2c(c(O)c(C)c1CCCC)CC(C(C)=C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.405

CB1 binding score: -15.274

InChIKey:
RHMCOVKJBNLLQZ-UHFFFAOYSA-N

ID: 137235

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.663

InChIKey:
JNGJGHFJBFPWRL-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