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Molecule Identifiers
Molecular Properties

ID: 104119

SMILES:
c1(C=CC(=O)OCCC(CCCC(C)C)C)cc2c(cc1)OC(C)(C)C1CC=C(C)CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.652

CB1 binding score: -16.743

InChIKey:
SNFXMCHSPJQEFS-UHFFFAOYSA-N

ID: 104120

SMILES:
CC1(C)C2CC=C(C(O)=O)CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.707

InChIKey:
OGXXAQFMAFTSRU-UHFFFAOYSA-N

ID: 104121

SMILES:
CC1=CC(c2c(O)ccc(O)c2)C(C(C)=C)C1(C)C(=O)CC1C(=O)CC(C(C)(C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.608

CB1 binding score: -14.329

InChIKey:
CYOPSYZRHBWBOU-UHFFFAOYSA-N

ID: 104122

SMILES:
C1C(O)(C)C2OC(O)(C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.455

CB1 binding score: -15.232

InChIKey:
QQPICHUVLVYRCQ-UHFFFAOYSA-N

ID: 104123

SMILES:
C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(=C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.055

InChIKey:
AOYYFUGUUIRBML-UHFFFAOYSA-N

ID: 104124

SMILES:
CC(=CCOc1cc(OC)c(OC)c(C2C(C(C)=C)CCC(C)=C2)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -14.778

InChIKey:
PUOUCLGUVXXABA-UHFFFAOYSA-N

ID: 104125

SMILES:
C(C)(=CCc1c(O)c(CC=C(C)CCC=C(C)C)cc(O)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.748

InChIKey:
VRXKPPYOGGSRFK-UHFFFAOYSA-N

ID: 104126

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)C=C(C)CCCC(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.761

CB1 binding score: -15.774

InChIKey:
RJGXGSQQOADCBG-UHFFFAOYSA-N

ID: 104127

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -20.081

InChIKey:
XLSYFQOJMWXOCT-UHFFFAOYSA-N

ID: 104128

SMILES:
C(Cc1cc(O)c(CC=C(C=CC2(C(O)(C)C)CCC(=O)C2)C)c(O)c1)CCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -14.93

InChIKey:
XVFMTLFBZHCWPT-UHFFFAOYSA-N

ID: 104129

SMILES:
COc1cc(CC)cc(O)c1C1C=C(C(O)=O)CC(=O)C1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.38

CB1 binding score: -14.638

InChIKey:
AYIKSKORBQCPOO-UHFFFAOYSA-N

ID: 104130

SMILES:
C1(C)C2CC(=O)C3=CCCC(C)C3(C)C2C2(c3c(cc(CCCCC)cc3O)O2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.582

CB1 binding score: -15.15

InChIKey:
AFQUSTAGQBOUKM-UHFFFAOYSA-N

ID: 104131

SMILES:
C(CCc1cc2c(c(O)c1)C=CC(C)(C)O2)C(=O)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.305

CB1 binding score: -14.057

InChIKey:
QHCPBQREVAKBQE-UHFFFAOYSA-N

ID: 104132

SMILES:
O1c2cc(CCCCC)cc(OC(C)=O)c2CC1C=CC(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.292

InChIKey:
IMGBVPUTQILBEH-UHFFFAOYSA-N

ID: 104133

SMILES:
C1C2(C)CCC(C(=C)C)C2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.041

InChIKey:
HJEWIWCVEGWAKW-UHFFFAOYSA-N

ID: 104134

SMILES:
O=Cc1c(O)c2c(cc1CCCCC)OC(C)(C)c1c(O)cc3c(c12)C(C)CCC3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.538

CB1 binding score: -13.739

InChIKey:
KVDCOLBSAGUAEV-UHFFFAOYSA-N

ID: 104135

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2C(OC(C)=O)C(CC(=O)O)O1)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 432.513

CB1 binding score: -14.812

InChIKey:
AYZDETSJUAWHBF-UHFFFAOYSA-N

ID: 104136

SMILES:
COc1c(O)c2c(cc1CCCCC)OC(C)(C)C1=C2C(OO)C(C)C(=O)C1CC(C)=C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.568

CB1 binding score: -13.343

InChIKey:
QNXBSJGACVPYFT-UHFFFAOYSA-N

ID: 104137

SMILES:
C=C(C1CC(C)(C)C2c3c(cc(CCCCC)cc3O2)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -11.593

InChIKey:
HWKMDJSJFKPQDY-UHFFFAOYSA-N

ID: 104138

SMILES:
Oc1c(O)c2c(cc1CCCCC)OC(C)(C)C1=C2C(O)C(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.466

CB1 binding score: -16.447

InChIKey:
LKOBKSNSGNSOAQ-UHFFFAOYSA-N

ID: 104139

SMILES:
C1(C)=CC(OC(C)=O)C2C(c3c(cc(CCCCC)cc3O)OC2(C)CCC=C(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.624

CB1 binding score: -13.951

InChIKey:
IHKMLGGSHAIIEA-UHFFFAOYSA-N

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104119–104139 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