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Molecule Identifiers
Molecular Properties

ID: 46180

SMILES:
c1c2c(c(CCCC)cc1O)OC(C)(CCC=C(C)C)C(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.425

InChIKey:
WXUJBYFCJYLVNT-UHFFFAOYSA-N

ID: 46181

SMILES:
c1(O)cc(C)cc2c1C(C)(C)Oc1c2c(O)cc(C(C)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.382

CB1 binding score: -16.204

InChIKey:
QYCFVPBNUQRRIP-UHFFFAOYSA-N

ID: 46182

SMILES:
c1c(CCCCC)cc2c(c1O)C1C=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: 46183

SMILES:
C1(=O)C(=O)c2c(cc(CCCC)cc2O)OC1(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.439

InChIKey:
YYLRFQWFYWMITQ-UHFFFAOYSA-N

ID: 46184

SMILES:
C1(C(O)(C)C)CCC(C)=CC1CC(C)=CCc1c(O)c(C)cc(OC(CCCCCC)=O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.667

CB1 binding score: -16.021

InChIKey:
SESVUMYIYYJJAM-UHFFFAOYSA-N

ID: 46185

SMILES:
C(C=C(C)C)c1c(O)cc(CCCCC)c(C(=O)O)c1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -19.394

InChIKey:
IQDBYPKRWVDTCI-UHFFFAOYSA-N

ID: 46186

SMILES:
CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.509

InChIKey:
XAJXLANJASZEBB-UHFFFAOYSA-N

ID: 46187

SMILES:
c1(O)cc(CCCC)c(O)c2c1C1(C)C(=C(C)C(C3(C)CCC(C(C)(O)C)O3)CC1)CC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.623

CB1 binding score: -14.933

InChIKey:
AMXRZHLCKJTALO-UHFFFAOYSA-N

ID: 46188

SMILES:
CC1(C)C2=CC(C)=C(CC(C3(C)CCc4cc(O)cc(C)c4O3)C)C2=CCC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.556

CB1 binding score: -16.502

InChIKey:
NSLCZEADSJIJGK-UHFFFAOYSA-N

ID: 46189

SMILES:
C1(C)=CC2C34C1(C1CC(C)(C)CC31)Oc1c(C(OC)=O)c(CCCCCC)cc(O)c1C4C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.619

CB1 binding score: -15.406

InChIKey:
NIDBRUISCLUPFO-UHFFFAOYSA-N

ID: 46190

SMILES:
C1C(C)(O)C2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.522

InChIKey:
XTHXQACBFDXOKH-UHFFFAOYSA-N

ID: 46191

SMILES:
COC(c1c2c(ccc1OC(C)=O)OC1(C)C(C(C)(C)CC=C1)C2)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -16.881

InChIKey:
ZQZMOBQHKRSMNJ-UHFFFAOYSA-N

ID: 46192

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -13.701

InChIKey:
BIZBTGMDJPZIIV-UHFFFAOYSA-N

ID: 46193

SMILES:
C1(C)(C)Oc2cc(CCC(=O)CC)cc(O)c2C2CC(C)=CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.647

InChIKey:
UUSNSLNQBCNXAV-UHFFFAOYSA-N

ID: 46194

SMILES:
c1(CCC(=O)C)c(O)c(C)cc2c1C(C)C(O)C(C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -16.646

InChIKey:
RFZRJJYMYCDAMP-UHFFFAOYSA-N

ID: 46195

SMILES:
c1(CCCC)cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -19.932

InChIKey:
YRIJETKCLFDWJX-UHFFFAOYSA-N

ID: 46196

SMILES:
CC(=C)C1CCC(=C)CC1c1c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.259

InChIKey:
WBSDIJSTEIXLSI-UHFFFAOYSA-N

ID: 46197

SMILES:
C1C(=O)C(CO)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.174

InChIKey:
CJRHYYRYCGLADH-UHFFFAOYSA-N

ID: 46198

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 46199

SMILES:
Oc1cc(CCCC)cc2c1C1C(C(=CCC=C(C)C)C)CCC(C)(C2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.589

CB1 binding score: -15.068

InChIKey:
QHORJLLXJWFQDP-UHFFFAOYSA-N

ID: 46200

SMILES:
OC(c1c(CCCCCC)cc(O)c2c1OC(C)(C)C1C2CC(CO)=CC1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -15.823

InChIKey:
NSPLMNLPTTYBRC-UHFFFAOYSA-N

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46180–46200 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