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Molecule Identifiers
Molecular Properties

ID: 81061

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1=CCC(C)CC12)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.021

InChIKey:
XWEHEDGGLKPLMH-UHFFFAOYSA-N

ID: 81062

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -18.488

InChIKey:
BJZJAMNEJBDAQP-UHFFFAOYSA-N

ID: 81063

SMILES:
C1C(=CCC=C(C)C)C(OO)COc2c1c(OC)cc(CCCCC)c2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -13.737

InChIKey:
DLSNYLLWOKAOQY-UHFFFAOYSA-N

ID: 81064

SMILES:
C12C(c3c(cc(CCCCC)c(C(=O)O)c3O)OC1(C)C)C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -19.351

InChIKey:
UCONUSSAWGCZMV-UHFFFAOYSA-N

ID: 81065

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 81066

SMILES:
C12c3c(cc(CC(O)C(C)(O)C)cc3NC1=O)OC(C)(C)C(Cl)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 353.846

CB1 binding score: Not available

InChIKey:
UTBUVYIFJOQFLX-UHFFFAOYSA-N

ID: 81067

SMILES:
c12cc(CCCCC)ccc1C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.189

InChIKey:
AIOSXAOKGBOYPS-UHFFFAOYSA-N

ID: 81068

SMILES:
OCC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 81069

SMILES:
OC(C)(CCC=C1C(O)C(c2c(O)cc(CCCCC)cc2)OC1CO)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.509

CB1 binding score: -13.166

InChIKey:
JCSPXXFJABFBOQ-UHFFFAOYSA-N

ID: 81070

SMILES:
C(C)CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.739

InChIKey:
WBRXESQKGXYDOL-UHFFFAOYSA-N

ID: 81071

SMILES:
c1(O)c(OC)c(CCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.847

InChIKey:
GFRAVQOMDVBPPQ-UHFFFAOYSA-N

ID: 81072

SMILES:
OC(C)(C)C1C2C(C)(CC1)Oc1c(c(OC)cc(CCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -15.397

InChIKey:
XFYOTZWWHUPCFX-UHFFFAOYSA-N

ID: 81073

SMILES:
C(CCCC1(C)Oc2c(c(O)cc(CCC)c2)C(O)C1)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.039

InChIKey:
FPDPWINAYMWLJV-UHFFFAOYSA-N

ID: 81074

SMILES:
C1(C)C2(C(O)=C(CC=C(CCC=C(C)C)C)C(=O)C(CCc3cc(O)cc(CCCCC)c3O)=C2)Oc2c(c(O)c(C)c(O)c2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 630.822

CB1 binding score: -16.703

InChIKey:
DWZXSHXISBNLIN-UHFFFAOYSA-N

ID: 81075

SMILES:
CC1=CC(c2ccc(CCCCC)cc2)C(C(C)=C)C2C1CC(O)(C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.545

CB1 binding score: -15.543

InChIKey:
OPHYEJIIEVOKOD-UHFFFAOYSA-N

ID: 81076

SMILES:
C1(C)=C2Cc3c(O)cc(CCCCC)cc3OC2(C)C=CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -15.304

InChIKey:
WOJSMNNOAUGBAL-UHFFFAOYSA-N

ID: 81077

SMILES:
c1(CC(=C)C2CC=C(C)CC2)cc(O)cc(C(O)CC(C)C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -14.144

InChIKey:
HRPZRFGRDMXDAI-UHFFFAOYSA-N

ID: 81078

SMILES:
C(C)CCCc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 81079

SMILES:
CC(OC1CC(C)CC2c3c(O)cc(C)cc3OC(C)(C)C12)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -15.687

InChIKey:
DNWIWLNUDHKILW-UHFFFAOYSA-N

ID: 81080

SMILES:
c1(CCCCCC)ccc2c(c1C(=O)O)OC(C)(C)C1C2C=C(C(=O)OC)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -15.324

InChIKey:
JPDMPQQAAVUALA-UHFFFAOYSA-N

ID: 81081

SMILES:
C1(=O)CC2=C(c3c(OC(C)=O)cc(CCCCC)cc31)C(C)CC(C)(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -16.335

InChIKey:
LBFOMSMAJMHLCP-UHFFFAOYSA-N

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81061–81081 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