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Molecule Identifiers
Molecular Properties

ID: 102166

SMILES:
C(C(c1cc(O)c2c(c1)OC(C)(C)C1CC(O)C(C)(C)C(O)C12)C)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -14.322

InChIKey:
QMJUCFISRHQDIY-UHFFFAOYSA-N

ID: 102167

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)c1c-2cc(C)cc1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 102168

SMILES:
C(C)(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 102169

SMILES:
C1C=C(C)C(Cc2c(O)c(C)cc(OC)c2)(C=CC=C(C)C)OC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.116

InChIKey:
SRTXBONFUALJDB-UHFFFAOYSA-N

ID: 102170

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC1(C)CC2CC(C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.406

InChIKey:
FQETVAGXRGUBLS-UHFFFAOYSA-N

ID: 102171

SMILES:
C(CCCCC)c1cc(O)cc(C2CC(C(O)(C)C)OC2=O)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.429

CB1 binding score: -13.441

InChIKey:
AARKVQLCHSBZDI-UHFFFAOYSA-N

ID: 102172

SMILES:
CC(C)=CCCc1cc2c(c(O)c1)C1C=C(C)C2C(=O)CC1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -12.918

InChIKey:
NIMAJLXMJNAUEV-UHFFFAOYSA-N

ID: 102173

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.832

InChIKey:
LOUSQMWLMDHRIK-UHFFFAOYSA-N

ID: 102174

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -16.761

InChIKey:
QVLZLJKWXYLKLV-UHFFFAOYSA-N

ID: 102175

SMILES:
C1(C)(C)C2CCC1(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -17.312

InChIKey:
JSPSTQNGVIMTKB-UHFFFAOYSA-N

ID: 102176

SMILES:
C1(C)(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 102177

SMILES:
C1C(C)(C)Oc2cc(O)c(CC=C(C)CCC=C(C)C)cc21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.343

InChIKey:
QYVXOQANEFQMKU-UHFFFAOYSA-N

ID: 102178

SMILES:
CCOc1ccc2c(n1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 273.376

CB1 binding score: -13.316

InChIKey:
YGEKTCHOPDOWDG-UHFFFAOYSA-N

ID: 102179

SMILES:
C1C(C)(O)C=C2C(C(C)(C)Oc3c2c(OC)cc(COC(=O)C)c3)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -15.71

InChIKey:
NRVKOHPQRRRXFZ-UHFFFAOYSA-N

ID: 102180

SMILES:
C(C=Cc1cc2c(cc1C)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.454

CB1 binding score: -15.145

InChIKey:
VTGFERODRGJUTG-UHFFFAOYSA-N

ID: 102181

SMILES:
C(=C)(C)C1C(c2c(O)cc(CCC)cc2OC)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.854

InChIKey:
OZYYEDPTJXVZJQ-UHFFFAOYSA-N

ID: 102182

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -15.131

InChIKey:
FJRIAKJYQLPWMC-UHFFFAOYSA-N

ID: 102183

SMILES:
C(Cc1cc(O)c(CC2C(C)(O)CCC2C(C)=C)c(O)c1)Cl

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.848

CB1 binding score: -12.742

InChIKey:
GTIPAGJFGVKYBZ-UHFFFAOYSA-N

ID: 102184

SMILES:
C1(C(C)C)CCC2(C)C(C1)Oc1cc(CCCCCC)cc(O)c12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -14.77

InChIKey:
RJTIQHCBQCPIMD-UHFFFAOYSA-N

ID: 102185

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.851

InChIKey:
RIAUCOYAMITEEV-UHFFFAOYSA-N

ID: 102186

SMILES:
C(C)(C1C=Cc2c(O)cc(CCCCC)cc2O1)CC=CC(C)(O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -13.522

InChIKey:
DWVYNRNXPWVVBQ-UHFFFAOYSA-N

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102166–102186 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