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Molecule Identifiers
Molecular Properties

ID: 115228

SMILES:
C1C(C)=CC(c2c(O)cc(CCC)cc2OC)C(C(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.172

InChIKey:
ZLMHDSKDPRIBDQ-UHFFFAOYSA-N

ID: 115229

SMILES:
C1(C)(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2OC)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.551

CB1 binding score: -15.027

InChIKey:
AIUBLDKCFQPCPD-UHFFFAOYSA-N

ID: 115230

SMILES:
c1(OC)c(-c2c(C(C)(C)C=C)c(O)cc(C)c2)c(O)cc(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -15.497

InChIKey:
JHLGOKJXVAVGNF-UHFFFAOYSA-N

ID: 115231

SMILES:
OC1CC(C)=CC2C(CCC(=C)C1)C(C)(CCC1C(C)(C)O1)Oc1ccc(O)c(OC)c12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.596

CB1 binding score: -14.141

InChIKey:
RPLRLNGGAHJOPW-UHFFFAOYSA-N

ID: 115232

SMILES:
Oc1cc(OC)c(C2C=C(C)CCC2C(C)=C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.701

InChIKey:
QFYIYBNVAPLEFO-UHFFFAOYSA-N

ID: 115233

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C1C(C(C)=CCC(C(C)(C)O)O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.677

CB1 binding score: -15.567

InChIKey:
GSMCBPGSPITLLL-UHFFFAOYSA-N

ID: 115234

SMILES:
C1C(O)(C)CCC(C(C)C)C1c1c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.446

CB1 binding score: -17.878

InChIKey:
KRMPZHOEHTYDJK-UHFFFAOYSA-N

ID: 115235

SMILES:
c1(C(O)=O)c(O)c2c(cc1CCCCC)OC(C)(C)C1C2CC(CO)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -17.139

InChIKey:
KYXHLRXXNRFSDY-UHFFFAOYSA-N

ID: 115236

SMILES:
O=C(C)OC1CC2C(C)(C)Oc3cc(C)cc(O)c3C2C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -17.527

InChIKey:
YVROCDBNRUAEDW-UHFFFAOYSA-N

ID: 115237

SMILES:
c1(O)c(O)c2c(c(O)c1C(CO)=C)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.396

CB1 binding score: -16.034

InChIKey:
LEMNKRJNPKIBJT-UHFFFAOYSA-N

ID: 115238

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -19.765

InChIKey:
ZFEXKIZLCYYFTO-UHFFFAOYSA-N

ID: 115239

SMILES:
C(CC=C(C)C)C(C)=CC(=O)CC1(C)C=Cc2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -15.455

InChIKey:
UDWOIMWHODFBAI-UHFFFAOYSA-N

ID: 115240

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -19.22

InChIKey:
AHKIGVNVQSVNEP-UHFFFAOYSA-N

ID: 115241

SMILES:
C(C)Oc1c2c(c(O)cc1CCCCC)OC(C)(C)C1Cc3c(C)ccc(C(O)=O)c3CC1CC2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 494.672

CB1 binding score: -14.991

InChIKey:
WMFQHBHLHGXDQG-UHFFFAOYSA-N

ID: 115242

SMILES:
CC1(CCC=C(C)C)OC1=Cc1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.717

InChIKey:
OCISKFUFXADAEC-UHFFFAOYSA-N

ID: 115243

SMILES:
CC(=O)OCc1cc(C2C=C(CO)CCC2C(C)=C)ccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -12.326

InChIKey:
XJBKMQALTIIWDC-UHFFFAOYSA-N

ID: 115244

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -15.834

InChIKey:
JFHHJGUXAYPNSK-UHFFFAOYSA-N

ID: 115245

SMILES:
CC(C)C(O)C(=O)c1c(O)c(CC=C(C)C)c2c(c1)OC(C)(C)C1C2C(O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.585

CB1 binding score: -12.769

InChIKey:
WBISLLYOCFZACL-UHFFFAOYSA-N

ID: 115246

SMILES:
C(CCc1cc(OC)c2c(c1)OC(C)(C)C1=C2CC(C)CC1)CC(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -14.724

InChIKey:
ODPSWSJQXSAYSK-UHFFFAOYSA-N

ID: 115247

SMILES:
O1c2c(c(OC)cc(CCCCC)c2)C2(C)C(C1)C=C(C(C)C)CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -12.693

InChIKey:
BDATZIILUTXEIT-UHFFFAOYSA-N

ID: 115248

SMILES:
C1CC2(C)Oc3cc(CCCCC)cc(O)c3C2C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.038

InChIKey:
UQNLYKRORRSCHA-UHFFFAOYSA-N

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115228–115248 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