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Molecule Identifiers
Molecular Properties

ID: 128227

SMILES:
C(c1c(O)c(C(C=CC)=O)c(O)c(C2C=C(C)CCC2C(C)=C)c1O)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.527

CB1 binding score: -15.332

InChIKey:
FJFVEWBTCYXFLU-UHFFFAOYSA-N

ID: 128228

SMILES:
c1(CC=C(C)CC(O)C=C(C)C)c(O)c2c(cc1CCCCC)OC(C)(C)C1C(O)CC(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.694

CB1 binding score: -15.929

InChIKey:
PBAXHPDRSOIFPG-UHFFFAOYSA-N

ID: 128229

SMILES:
C(C(C(CCC(C)=CCc1c(O)cc(C)cc1O)=C)=O)CC1=CCC(C(=C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.582

CB1 binding score: -13.854

InChIKey:
IPDHAUUBCBXSDQ-UHFFFAOYSA-N

ID: 128230

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 128231

SMILES:
C(COc1cc2c(cc1CCCCC)OC(C)(C)C1CC(C(C)=Cc3coc(C)n3)=CC1C2)CCCO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 507.715

CB1 binding score: -16.502

InChIKey:
SNYDLDNFGFIUKS-UHFFFAOYSA-N

ID: 128232

SMILES:
CC(=O)OCC1=CCC2C(C1)c1cc(O)c(C)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -17.072

InChIKey:
ITPRLIPDMJBWJX-UHFFFAOYSA-N

ID: 128233

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 128234

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(C(C)C)CCC(C)=C1C2=O)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.207

InChIKey:
UTBOPLKLFAHPNS-UHFFFAOYSA-N

ID: 128235

SMILES:
C1(c2cc(O)c(CC(=O)O)cc2O)C(C(=C)C)CCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -16.082

InChIKey:
ZTPNSXFKXNKEEP-UHFFFAOYSA-N

ID: 128236

SMILES:
C(c1c(C)cc2c(c1)OC(C)(C)C(=O)C2)CCCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -14.949

InChIKey:
NEZVVFURUBZKLZ-UHFFFAOYSA-N

ID: 128237

SMILES:
C1(C(=CC=CC(C)(C)O)C)CCC(CO)=CC1c1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -14.157

InChIKey:
JQUBCQQZRNTJIY-UHFFFAOYSA-N

ID: 128238

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -17.042

InChIKey:
KSBVARYOTUSYSR-UHFFFAOYSA-N

ID: 128239

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1COC(=O)C12)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -17.792

InChIKey:
IFBSCCZOCLBPJO-UHFFFAOYSA-N

ID: 128240

SMILES:
C1=C(C)CC=C2C1C(C(C)(C)Oc1ccc(O)c(I)c1C2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.295

CB1 binding score: -14.956

InChIKey:
BRDXDSJZYPCSKB-UHFFFAOYSA-N

ID: 128241

SMILES:
C1(=O)CC(CO)=CCC(C(C)=C)CC(c2cc(CCCCC)cc(O)c2)C1(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -15.244

InChIKey:
XQFJFVOOPMKOEI-UHFFFAOYSA-N

ID: 128242

SMILES:
c1(C(C)(CC(=O)OC)OCC)cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -13.274

InChIKey:
IBHVZKNZONTHBL-UHFFFAOYSA-N

ID: 128243

SMILES:
c1c(CO)cc(C2C(C(=C)C)C(c3cc(CCCCC)cc(O)c3)C=C2C)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.593

CB1 binding score: -13.913

InChIKey:
XDLHESBHWIPZAB-UHFFFAOYSA-N

ID: 128244

SMILES:
C12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC(=C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -17.387

InChIKey:
WZNHMUDQWIZILX-UHFFFAOYSA-N

ID: 128245

SMILES:
CC(C)c1c(O)c(O)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.638

InChIKey:
KNZHIMYZHKNYSW-UHFFFAOYSA-N

ID: 128246

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 128247

SMILES:
c1c(O)c(CC=C(C)C)c(O)cc1CCCCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -18.06

InChIKey:
DUNLYOQOJQUZRD-UHFFFAOYSA-N

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128227–128247 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