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Molecule Identifiers
Molecular Properties

ID: 73165

SMILES:
C1C(C)=CC2C(C(C)(C)Oc3c(O)c(OC)cc(CCCCC)c32)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.396

InChIKey:
TVLATXVFTBEPEI-UHFFFAOYSA-N

ID: 73166

SMILES:
Cc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.387

InChIKey:
VVRJCBBASZRUGL-UHFFFAOYSA-N

ID: 73167

SMILES:
CC1(C)C2CCC(CO)C=C2c2c(cc(CCCCC)c(C(O)=O)c2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -14.519

InChIKey:
RWFYJEPWURWXRN-UHFFFAOYSA-N

ID: 73168

SMILES:
Oc1c(C(=O)C)c2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -16.944

InChIKey:
YPIZGFLNQQXMNW-UHFFFAOYSA-N

ID: 73169

SMILES:
Oc1c(CCCCC)cc2c(c1O)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.996

InChIKey:
XXGMIHXASFDFSM-UHFFFAOYSA-N

ID: 73170

SMILES:
c1c(C)c(OC(C(C(C(CC)C)C)O)=O)c(C=O)c2c1OC(CCC1C(C)(C)O1)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 512.687

CB1 binding score: -14.885

InChIKey:
AVBOVXDBLWEPIU-UHFFFAOYSA-N

ID: 73171

SMILES:
c1(CCCC)cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(OC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.499

InChIKey:
CDCJUBPCFJBDNF-UHFFFAOYSA-N

ID: 73172

SMILES:
CC1(C)OC2(OO)CC(C)C3CCC(C)C4=C3C1Oc1c4c(cc(CCCCC)c1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: -14.812

InChIKey:
UVMNEFOCJWRBAE-UHFFFAOYSA-N

ID: 73173

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -20.649

InChIKey:
ZHYPKENABBMAAN-UHFFFAOYSA-N

ID: 73174

SMILES:
c1(CCCCC)cc2c3c(c1O)OC(C)(C)C1CCC(C(=O)OC)=C(C=O)C31OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.552

CB1 binding score: -15.835

InChIKey:
IEMXADLEPRCXTM-UHFFFAOYSA-N

ID: 73175

SMILES:
C(CCc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.691

InChIKey:
RDLVEYAULHYSIG-UHFFFAOYSA-N

ID: 73176

SMILES:
OC(C1CCC(C)=CC1c1c(O)cc(CCCCCO)cc1O)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -14.625

InChIKey:
ZYFFIEGXAQQZPO-UHFFFAOYSA-N

ID: 73177

SMILES:
O(c1c2c(cc(C(=O)O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C(=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.38

CB1 binding score: -15.504

InChIKey:
BDFDPCROCVFFQD-UHFFFAOYSA-N

ID: 73178

SMILES:
C12C(=CCCC1(C)C)c1c(OC)cc(CCC)cc1OC21OC(=O)C(C)=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -15.675

InChIKey:
NWAJXOKKXVLLNW-UHFFFAOYSA-N

ID: 73179

SMILES:
CC(=CC=C)Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1=C2C(=O)C(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.512

CB1 binding score: -14.129

InChIKey:
LGXVOKZCKLRIFC-UHFFFAOYSA-N

ID: 73180

SMILES:
CC1(C)C=CCC2(C)Oc3c(c(O)cc(CCCC)c3)C(O)C2(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -17.161

InChIKey:
MTQWHXOJEVZZBB-UHFFFAOYSA-N

ID: 73181

SMILES:
C(CC=C(C)C)C(=CCc1c(O)c(C(=O)O)c(CCCCCO)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 376.493

CB1 binding score: -17.149

InChIKey:
CWJIQNZUMIRTGY-UHFFFAOYSA-N

ID: 73182

SMILES:
CC1(O)C2(C(C=O)O)C(CC1C)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -14.273

InChIKey:
NNMLMLBTTIXDPT-UHFFFAOYSA-N

ID: 73183

SMILES:
C(CCCCC)Cc1cc2c(c(O)c1C(=O)CC(C)C)OC(C)(C)C(OC(C)=O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.574

CB1 binding score: -15.116

InChIKey:
VUHPFSKPMBGLMS-UHFFFAOYSA-N

ID: 73184

SMILES:
C(C(=CCc1c(O)cc(CCCCC)c(C(O)=O)c1O)C)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 73185

SMILES:
O=C1C2C(O)(c3c(cc(CCCCC)cc3O)OC2(C)C)C(=O)C(C)(C)C1=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.46

CB1 binding score: -15.929

InChIKey:
AHAMSYGFSMXXAD-UHFFFAOYSA-N

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73165–73185 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