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Molecule Identifiers
Molecular Properties

ID: 118420

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C(C(C)(O)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -14.601

InChIKey:
ZSYSFISQLXDFSX-UHFFFAOYSA-N

ID: 118421

SMILES:
C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C(=O)C(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -17.277

InChIKey:
YXIXRVQIVIMNBH-UHFFFAOYSA-N

ID: 118422

SMILES:
C(CCc1cc(O)c(C2C(C(C)=C)CCC(C)C2)c(O)c1)CCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.62

CB1 binding score: -16.144

InChIKey:
VUZYKEWWGLYPIW-UHFFFAOYSA-N

ID: 118423

SMILES:
CC(C1CC(=O)C2(C)Oc3c4c(c(CCCCC)cc4OC)OC(C)(C)C3C(O1)C2)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: -15.719

InChIKey:
KLZPJZWYTWFMDJ-UHFFFAOYSA-N

ID: 118424

SMILES:
Oc1cc(OC)c2c(c1CC=C(C)C)OC(C)(C)C(CCC(C)=CCc1c(OC)cc(C)cc1O)C2O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 510.671

CB1 binding score: -16.015

InChIKey:
RZZXYSWAARRRBA-UHFFFAOYSA-N

ID: 118425

SMILES:
C1(C)=CC(c2cc(CCCCC)ccc2OCC=C(CCC=C(C)C)C)C(C(C)(O)C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.668

CB1 binding score: -13.556

InChIKey:
DGPACBDFONGGNS-UHFFFAOYSA-N

ID: 118426

SMILES:
C(C)(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.506

InChIKey:
LCWPGHYENVNAJV-UHFFFAOYSA-N

ID: 118427

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1CC=C(C)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.821

InChIKey:
CUWJKLPAOPPJHN-UHFFFAOYSA-N

ID: 118428

SMILES:
c12c(cc(CCCCC)cc1O)OC1(C)CCC3C(C)(C)C3C1C2CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -16.579

InChIKey:
RQQPXCUTSMARIL-UHFFFAOYSA-N

ID: 118429

SMILES:
c12c(cc(C)cc1O)OC1(C2(C)C)CC=C(C)CC1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -14.822

InChIKey:
RZAVCERZODIYTH-UHFFFAOYSA-N

ID: 118430

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=CC2CCCCO

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -15.579

InChIKey:
FFIBHUBNZMOLSS-UHFFFAOYSA-N

ID: 118431

SMILES:
C1(O)=C(C)CCC(C(CCC=C(C)C)C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -15.635

InChIKey:
UWCSVIYRYYPZTG-UHFFFAOYSA-N

ID: 118432

SMILES:
C1(O)CC(C(C)=C)C(c2cc(CCCC(O)C)cc(O)c2)CC1(C)C=CC=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -14.938

InChIKey:
VMVXJWYMMPQIJQ-UHFFFAOYSA-N

ID: 118433

SMILES:
C12(C)C(C(C)(C)C3OC13CCC(C)=CCc1c(O)ccc(O)c1)CC(O)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.558

CB1 binding score: -14.972

InChIKey:
PRKLQCOHBONZDX-UHFFFAOYSA-N

ID: 118434

SMILES:
C1C(C(CO)=C)C(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CCC1(CO)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.574

CB1 binding score: -11.41

InChIKey:
HNNQGAJFIBSEHK-UHFFFAOYSA-N

ID: 118435

SMILES:
c1(O)cc2c(c(O)c1CC=C(C)C)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.684

InChIKey:
UMGKUBBSMWRDJD-UHFFFAOYSA-N

ID: 118436

SMILES:
C1(CO)(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.583

InChIKey:
AFSGVVWOXYAPKB-UHFFFAOYSA-N

ID: 118437

SMILES:
c1c(O)c2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.145

InChIKey:
YJSPCCRFFZMYHY-UHFFFAOYSA-N

ID: 118438

SMILES:
c1(O)cc(CCCC)cc2c1C1C(C(=C)C)CCC(C)(O2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.334

InChIKey:
MNUBYOPTBHHAIM-UHFFFAOYSA-N

ID: 118439

SMILES:
c1(OC)c(OC)c(OC)cc(O)c1C1C(C(=C)C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -16.502

InChIKey:
MZIZMOBUXOQISS-UHFFFAOYSA-N

ID: 118440

SMILES:
C12c3c(O)cc(C)cc3OC(C)(C)C1CCC(C)(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -18.006

InChIKey:
SUFPQJMELBBUPW-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