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Molecule Identifiers
Molecular Properties

ID: 134863

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 134864

SMILES:
C12(COC(CCCCCCCCCCCCCCC)=O)CC=C(C)CC1c1c(O)cc(CCC)cc1OC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 540.785

CB1 binding score: -13.027

InChIKey:
PUYFWZDXQGTJJE-UHFFFAOYSA-N

ID: 134865

SMILES:
C1CC2C(C)(C)Oc3cc(C(CCCCC)C)cc(O)c3C2C1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -15.519

InChIKey:
AHWJUNVXGFWIEI-UHFFFAOYSA-N

ID: 134866

SMILES:
C1=CC23C(CC1c1c(cc(CCCCC)cc1OC(C)=O)OC2=O)C(C=O)C(C)OC3=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.492

CB1 binding score: -13.943

InChIKey:
ZLKRAIRUXGJTIB-UHFFFAOYSA-N

ID: 134867

SMILES:
C(CCc1c2c(ccc1C)C1C(C(C)(C)O2)CCC1(C)OO)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -14.8

InChIKey:
NCORPLCAMCIXFX-UHFFFAOYSA-N

ID: 134868

SMILES:
OC1(C)CCC(C(C)=C)C(c2c(O)cc(CCC)cc2)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -15.511

InChIKey:
HBJOKMNCTJVSLX-UHFFFAOYSA-N

ID: 134869

SMILES:
O1c2cc(C)c(O)cc2C2C=C(C(CC(=O)C)OC)C(O)CC2C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -15.507

InChIKey:
AKDMPQNPGDNXJJ-UHFFFAOYSA-N

ID: 134870

SMILES:
CC(CCC=C(CO)C)=C(C)Cc1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -12.769

InChIKey:
QSQSHZRQSGFTTH-UHFFFAOYSA-N

ID: 134871

SMILES:
C12C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C1CC=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.15

InChIKey:
FXRYFSBEEDYORZ-UHFFFAOYSA-N

ID: 134872

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.238

InChIKey:
BJYXQJGARPKCEI-UHFFFAOYSA-N

ID: 134873

SMILES:
C12Cc3c(c(O)cc(C)c3)C(C)(C)Oc3cc(CCCCC)cc(c31)C(C(C)C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.61

CB1 binding score: -11.797

InChIKey:
MLLLYEOMSJSKDN-UHFFFAOYSA-N

ID: 134874

SMILES:
C1C(O)C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C2C(O)(C)CCC2C1=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -13.99

InChIKey:
GEYNOQKDIMTKHW-UHFFFAOYSA-N

ID: 134875

SMILES:
C1(=C)C2(C)C(C=C(C)CC2)c2c(O)cc(CCC)cc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -15.862

InChIKey:
PSCVBMDLZPXTOS-UHFFFAOYSA-N

ID: 134876

SMILES:
Cc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.389

CB1 binding score: -18.317

InChIKey:
BLBMZPIDLRMSIY-UHFFFAOYSA-N

ID: 134877

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 134878

SMILES:
C(O)C1(C)C2CCC(COC(C(C)=CC)=O)=CC2c2c(cc(C)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -16.502

InChIKey:
TVPNHIJPBJHKMU-UHFFFAOYSA-N

ID: 134879

SMILES:
c1(OC)c(C2C(C(=C)C)CC(O)C(C)=C2)cc(CC=C(CCC=C(C)C)C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -16.884

InChIKey:
KKAHODFTAAUQJO-UHFFFAOYSA-N

ID: 134880

SMILES:
O(C)c1c(C2C(C(O)(C)C)CCC(C)=C2)c(O)c(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -7.654

InChIKey:
XLOKJDXNBZDQKO-UHFFFAOYSA-N

ID: 134881

SMILES:
C1(C(C)C)C(c2c(O)cc(CCCCC)cc2OC)C=C(C)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.28

InChIKey:
TUOHCTTUXWDPJM-UHFFFAOYSA-N

ID: 134882

SMILES:
Cc1c(C2=C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -15.813

InChIKey:
PMSNOHBCDZMVDS-UHFFFAOYSA-N

ID: 134883

SMILES:
c12c(O)cc(CCCCCCC)cc1OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -15.933

InChIKey:
HHZLLUVXYTVLOL-UHFFFAOYSA-N

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134863–134883 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