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Molecule Identifiers
Molecular Properties

ID: 78310

SMILES:
Oc1c(CC(C)C)cc(O)c2c1OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.527

InChIKey:
RNNOAWXGGMTMGX-UHFFFAOYSA-N

ID: 78311

SMILES:
C(CC)Cc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.593

CB1 binding score: -14.801

InChIKey:
HTZDDWSKLBAAHE-UHFFFAOYSA-N

ID: 78312

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 78313

SMILES:
C1C(C(C)=C)C(c2c(O)cc(CCCC)cc2O)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.739

InChIKey:
WBRXESQKGXYDOL-UHFFFAOYSA-N

ID: 78314

SMILES:
C(C)c1ccc(O)c(C2C=C(C)[CH]CC2C(C)=C)c1C=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 283.391

CB1 binding score: -15.977

InChIKey:
PPHKWTZBNSHBLM-UHFFFAOYSA-N

ID: 78315

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.315

InChIKey:
WTRKRGRMUBVMKA-UHFFFAOYSA-N

ID: 78316

SMILES:
Oc1cc(Cc2c(O)cc3c(c2O)C(C)C(CC=C(C)C)C(CCC=C(CCC=C(C)C)C)(C)O3)ccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 534.737

CB1 binding score: -16.518

InChIKey:
RRKMPFLLKCPKAJ-UHFFFAOYSA-N

ID: 78317

SMILES:
C1(C(=C)C)=CCC(C)=CC1c1c(O)cc(CCCCCO)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.766

InChIKey:
NHJKBAYCIMBZAJ-UHFFFAOYSA-N

ID: 78318

SMILES:
C1=CC(C)(C)Oc2c1c(O)cc(CCCCC)c2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -20.081

InChIKey:
XLSYFQOJMWXOCT-UHFFFAOYSA-N

ID: 78319

SMILES:
C1CC2(C)Oc3c(O)c(O)cc(CCCCC)c3C2CC(C)=CCC2C1C2C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -13.96

InChIKey:
JRUCVTBNNURJHD-UHFFFAOYSA-N

ID: 78320

SMILES:
C(C12c3c(O)cc(C)cc3OC(C)(C)C1CC(OC(C)=O)C(C)=C2)(O)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -14.584

InChIKey:
DOFXVUPJBGJXMC-UHFFFAOYSA-N

ID: 78321

SMILES:
C(CCc1cc(O)c(C2C=C(C(=O)O)CCC2C(C)C)c(OC)c1)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -14.866

InChIKey:
AMAJNMHNTDJMQI-UHFFFAOYSA-N

ID: 78322

SMILES:
O1c2c(c(=O)oc(C(C)=CC)c2O)C2C=C(C)CCC2C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -14.482

InChIKey:
VFOCDCDUMJLTAS-UHFFFAOYSA-N

ID: 78323

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C(O)C(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.186

InChIKey:
KQQMZTULVOWZJR-UHFFFAOYSA-N

ID: 78324

SMILES:
O1C(C)(C)C2CCC(C)=CC2c2c(O)cc(CCCCCO)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.915

InChIKey:
LNEDOGQBWSHVNR-UHFFFAOYSA-N

ID: 78325

SMILES:
C(CCC)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.42

CB1 binding score: -17.309

InChIKey:
JANCAAVLXXGTNJ-UHFFFAOYSA-N

ID: 78326

SMILES:
CCCCCc1cc(O)c(OCC=C(CCC=C(C)C)C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.108

InChIKey:
HUOSBKDCWCFSDM-UHFFFAOYSA-N

ID: 78327

SMILES:
C1=C(C)CCC=C(C)CCC2C(Cc3c(O)cc(CCCCC)cc3O2)OC(C)(C)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.64

CB1 binding score: -12.762

InChIKey:
QAHLHFZWDYEKFT-UHFFFAOYSA-N

ID: 78328

SMILES:
C12C(C)CCC1c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.748

InChIKey:
KVIUZCORYUKBDQ-UHFFFAOYSA-N

ID: 78329

SMILES:
O1c2c(c(C(O)=O)cc(CCCCC)c2)C2C3C1C(C)(O)CCC3C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -17.964

InChIKey:
QTMOHWHULBJQSZ-UHFFFAOYSA-N

ID: 78330

SMILES:
C(CCC)Cc1cc(O)c(C2C(C(CO)C)CC(=O)C(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.882

InChIKey:
CCZPNQPTCOAKGX-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