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Molecule Identifiers
Molecular Properties

ID: 135136

SMILES:
CC1=CC(c2c(C)cccc2O)C(C(C)=C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -18.764

InChIKey:
VCTOYXGKNMVKJN-UHFFFAOYSA-N

ID: 135137

SMILES:
c1(C(C)(C)C2CC=C(C)CC2)c(O)c(C(O)=O)c(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -16.873

InChIKey:
ROHRAMWBVLHTEH-UHFFFAOYSA-N

ID: 135138

SMILES:
C1(O)C(C)=CC2c3c(cc(CCCCC)c(C(O)=O)c3O)OC(C)(C)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -16.476

InChIKey:
HLIIOVTVMGFDDS-UHFFFAOYSA-N

ID: 135139

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 135140

SMILES:
C1CC(=C)C2C1C(C)(C)Oc1c2cc(OC)c(CC=C(C)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -14.52

InChIKey:
CLMREDAOBRCVGL-UHFFFAOYSA-N

ID: 135141

SMILES:
C(O)(c1c(O)c2c(cc1CCC)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.381

InChIKey:
PWSPMQMIDQPMSV-UHFFFAOYSA-N

ID: 135142

SMILES:
c1(O)cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 135143

SMILES:
c1(O)c2c(cc(CCCCC)c1)C1C(C(C)(C)O2)CCC(CO)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.677

InChIKey:
KOVIXEDIXZAYDD-UHFFFAOYSA-N

ID: 135144

SMILES:
C1C2(O)C(CCC1C)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.007

InChIKey:
FXSXHYVMKQBBKA-UHFFFAOYSA-N

ID: 135145

SMILES:
C1C(C)(C)CC=C(C)C1c1c2c(cc(C(C)=O)c1O)C=CC(CCC=C(C)C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.582

CB1 binding score: -13.552

InChIKey:
SFPRCAOBEFPCQF-UHFFFAOYSA-N

ID: 135146

SMILES:
C1CC(C)=C(C)C1(C1Cc2cc(O)cc(C)c2OC1(C)C)OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.195

InChIKey:
BTJIDPZKHUCITM-UHFFFAOYSA-N

ID: 135147

SMILES:
C(C)CCCc1cc(O)c(O)c2c1OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.585

InChIKey:
HSSWXEGGDNCSBM-UHFFFAOYSA-N

ID: 135148

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(C)(C(=O)CC3(C)C(C(C(C)C)=CC3=O)C1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -14.046

InChIKey:
MKSAEMCADCRSJT-UHFFFAOYSA-N

ID: 135149

SMILES:
CC1(C)C2=C(C(=O)C(C)CC2)c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.882

InChIKey:
UEFGHYCIOXYTOG-UHFFFAOYSA-N

ID: 135150

SMILES:
C1(C)CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 135151

SMILES:
CC1=C(CC(O)c2c(O)cc(CCCCC)cc2O)C(C)(C)CCC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -13.031

InChIKey:
IFNZGKUYGZTYIS-UHFFFAOYSA-N

ID: 135152

SMILES:
C12(CBr)Oc3cc(C)cc(O)c3C1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 393.321

CB1 binding score: -15.482

InChIKey:
PRXUTLUZLKOJSY-UHFFFAOYSA-N

ID: 135153

SMILES:
C12=Cc3c(O)cc(CCCCCCC)c(CCCN)c3OC(C)(C)C1CCC(C)=CC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 439.64

CB1 binding score: -14.095

InChIKey:
NVPDEXZXHGLTNZ-UHFFFAOYSA-N

ID: 135154

SMILES:
c1cc(CCCCC)cc(O)c1-c1cc(OC)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.593

CB1 binding score: -14.605

InChIKey:
KAFNVDYTEDIERQ-UHFFFAOYSA-N

ID: 135155

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2)C(CC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -16.438

InChIKey:
XNZAMXDLJJOLNQ-UHFFFAOYSA-N

ID: 135156

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -17.162

InChIKey:
PSJHECMYRKFEQA-UHFFFAOYSA-N

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135136–135156 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