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Molecule Identifiers
Molecular Properties

ID: 102145

SMILES:
CC(C)Sc1ccc(O)c(C2C(C(C)=C)CCC(C)=C2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.483

CB1 binding score: -13.259

InChIKey:
FQJVANZWSPNERV-UHFFFAOYSA-N

ID: 102146

SMILES:
Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)C(O)CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.072

InChIKey:
DJCKLUPKZRLTPE-UHFFFAOYSA-N

ID: 102147

SMILES:
C(C)(C1CCC(C)(O)C1c1c(O)cc(CCCCC)cc1O)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.472

CB1 binding score: -17.674

InChIKey:
NAXJVZXJIISMMF-UHFFFAOYSA-N

ID: 102148

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -20.5

InChIKey:
YVUPWYODRDEDFU-UHFFFAOYSA-N

ID: 102149

SMILES:
c12c(c(CCCCC)cc(O)c1)OC(C)(C)C1CCC(COC)(C)OC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -15.244

InChIKey:
YYCSZYVHRKSPCW-UHFFFAOYSA-N

ID: 102150

SMILES:
O1C(C)(C)C2CCC(C)=CC2c2c1cccc2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -20.51

InChIKey:
NAFGOVPOWUOTBL-UHFFFAOYSA-N

ID: 102151

SMILES:
CC1=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 102152

SMILES:
C1(O)C2(C)Oc3c(c(O)cc(CCC)c3)C1=CC(CO)(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -15.076

InChIKey:
ASOYVJOGPGKIIO-UHFFFAOYSA-N

ID: 102153

SMILES:
C=CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CCC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -16.217

InChIKey:
SSPCWHFNEBILDC-UHFFFAOYSA-N

ID: 102154

SMILES:
CC(C)=CCc1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -19.169

InChIKey:
FCNLMUQPSJEBQE-UHFFFAOYSA-N

ID: 102155

SMILES:
C12(C)Oc3cc(C)c(CCCCC)cc3C1C(C(=C)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -16.581

InChIKey:
MVINCAMAQRJTJL-UHFFFAOYSA-N

ID: 102156

SMILES:
c1ccc(C2C=C(CO)CCC2C(=C)C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -15.796

InChIKey:
OZEVTRNRWMGBDR-UHFFFAOYSA-N

ID: 102157

SMILES:
C(c1cc(OC)c2c(c1)OC(C)(C)C=C2)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -18.771

InChIKey:
NUDQDNWIMDAJAE-UHFFFAOYSA-N

ID: 102158

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(C(=C)C)(CCC(C)C1)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.508

CB1 binding score: -14.715

InChIKey:
JACVOZSXIMSLIY-UHFFFAOYSA-N

ID: 102159

SMILES:
COc1c(O)c2c(cc1CCC=C(C)C)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.063

InChIKey:
VSUFKZRRNNRRJT-UHFFFAOYSA-N

ID: 102160

SMILES:
C1(O)C(C)(C)Oc2cc(CCCCC)cc(O)c2C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -19.729

InChIKey:
GIIVGKMZIUKMMN-UHFFFAOYSA-N

ID: 102161

SMILES:
C(Cc1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1C)CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -15.429

InChIKey:
YOSFXJHXTQPWDT-UHFFFAOYSA-N

ID: 102162

SMILES:
CC(CCC=C(C)C)=CCc1c(OC)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 102163

SMILES:
c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -18.056

InChIKey:
BASZVWQQTWCPJX-UHFFFAOYSA-N

ID: 102164

SMILES:
C(C)(=CCCC(=CCc1nc(C=O)c(O)c(C2C=C(C)CCC2C(=C)C)c1O)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 409.57

CB1 binding score: -13.774

InChIKey:
HWQPXLPNFRXLEU-UHFFFAOYSA-N

ID: 102165

SMILES:
C1(C(C)=C)C(c2c(O)cc(CCCCCC)cc2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.609

InChIKey:
HAKUWGCTBUVNJQ-UHFFFAOYSA-N

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102145–102165 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