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Molecule Identifiers
Molecular Properties

ID: 136165

SMILES:
C=C1CCC(C(CCC=C(C=O)C)C)C1c1c(O)cc(C(O)CCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -13.249

InChIKey:
KQLQWECTMOEBDG-UHFFFAOYSA-N

ID: 136166

SMILES:
C(CCC=C(C)C)(=CCc1c(O)cc(CCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 136167

SMILES:
CC(C1CCC(C=O)=CC1c1c(O)cc(CCCC(=O)OC)cc1OC)(O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.476

CB1 binding score: -16.124

InChIKey:
ZHRHWWGJXLEBTI-UHFFFAOYSA-N

ID: 136168

SMILES:
C1(C(C)=C)CCC(C)=CC(c2c(O)cc(CCC)cc2CCCC(C)=CC(O)=O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -17.313

InChIKey:
DUTRNTSDGBGBPK-UHFFFAOYSA-N

ID: 136169

SMILES:
C1(C)=CCCC(C)(C)C1c1c(O)cc(C)c(CC=C(C)C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.929

InChIKey:
KBXXKTHLBKWSBU-UHFFFAOYSA-N

ID: 136170

SMILES:
CC(C1CCC(C)=CC1c1cc(CCC)ccc1O)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.416

CB1 binding score: -16.449

InChIKey:
LKADTOARHRWCAE-UHFFFAOYSA-N

ID: 136171

SMILES:
c1c(O)cc2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.067

InChIKey:
OBJJEVJNCDBGOD-UHFFFAOYSA-N

ID: 136172

SMILES:
c1(C(O)=O)cc2c(cc1)C(C)(C)Oc1c-2cc(CCCCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.419

CB1 binding score: -15.929

InChIKey:
SFIZZTUKNDZPQE-UHFFFAOYSA-N

ID: 136173

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 474.638

CB1 binding score: -18.957

InChIKey:
GSLNUDGTFUQUCV-UHFFFAOYSA-N

ID: 136174

SMILES:
C(CC)CCc1cc(O)c(C2CC(C)CCC2C(C)C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.502

CB1 binding score: -17.372

InChIKey:
ACOLREACBPQROW-UHFFFAOYSA-N

ID: 136175

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 384.604

CB1 binding score: -20.123

InChIKey:
WYEFRBILENQYOH-UHFFFAOYSA-N

ID: 136176

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 136177

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.129

InChIKey:
ZTGXAWYVTLUPDT-UHFFFAOYSA-N

ID: 136178

SMILES:
C1C(CCC=C(C)C)(C)Oc2c(c(O)cc(CCCCC)c2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.791

InChIKey:
ORKZJYDOERTGKY-UHFFFAOYSA-N

ID: 136179

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)=CC1)CCCCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -16.54

InChIKey:
MITUGZXGMOUSCF-UHFFFAOYSA-N

ID: 136180

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C1(C)CCC1(O)C(C)(C)CCCC21C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -17.79

InChIKey:
DSIKRUMIRLMDDI-UHFFFAOYSA-N

ID: 136181

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.493

InChIKey:
GOHCAWGXCQBVKC-UHFFFAOYSA-N

ID: 136182

SMILES:
C1(C)=C2C(C)(C)C(C)(CC1)C21c2c(cc(CCCCC)cc2O)OC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -13.99

InChIKey:
PUVGIENAXDYABO-UHFFFAOYSA-N

ID: 136183

SMILES:
C1(C)(C)Oc2cc(CCCCCC)cc(O)c2C=CC(=O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.301

InChIKey:
ZSTGMJOEYNSKAB-UHFFFAOYSA-N

ID: 136184

SMILES:
C(C)CCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 136185

SMILES:
O=C(Oc1cc(C2C=C(C)CCC2C(C)=C)c(O)cc1OC)C=C(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.581

CB1 binding score: -11.026

InChIKey:
QMXWXEWQDXTVHH-UHFFFAOYSA-N

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136165–136185 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