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Molecule Identifiers
Molecular Properties

ID: 125182

SMILES:
Oc1cc(CCCCC)cc(O)c1C1C=C(C)CCC=C(C)CCC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -15.741

InChIKey:
AMRDXNZWUCMBND-UHFFFAOYSA-N

ID: 125183

SMILES:
O=C(O)C1CC2CC(C1C=CC(C)(C)C)(C)Oc1c2c(O)cc(CCCOC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -13.738

InChIKey:
LLHFIEAGNPTKJJ-UHFFFAOYSA-N

ID: 125184

SMILES:
C(OCC(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -15.091

InChIKey:
NHGIBMPNPYZZPR-UHFFFAOYSA-N

ID: 125185

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -18.748

InChIKey:
LLAAZDYTZYGRPH-UHFFFAOYSA-N

ID: 125186

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -15.477

InChIKey:
GIRCWONGMWAIAX-UHFFFAOYSA-N

ID: 125187

SMILES:
C(O)(c1cc2c(cc1)OC(CCC=C(C)C)(C)C=C2)CCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.763

InChIKey:
UFUFDLUDFWOZCC-UHFFFAOYSA-N

ID: 125188

SMILES:
c12c(cccc1C)C=CC1=C(C)CC(OC(C)=O)C1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -16.146

InChIKey:
QPLIPYNUVHEDPM-UHFFFAOYSA-N

ID: 125189

SMILES:
CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 125190

SMILES:
C(CCc1cc2c(c(O)c1)C1(CCC(C(C)=C)O1)C(=O)OC2)CCCCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -15.772

InChIKey:
BJGCNUNEDFQLPP-UHFFFAOYSA-N

ID: 125191

SMILES:
Cc1c(OC)cc2c(c1)-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -18.805

InChIKey:
FPNAYBZLIGJJAV-UHFFFAOYSA-N

ID: 125192

SMILES:
C1(CCC2(C)Oc3ccc(O)cc3CC2C(C)(C)O)C=CC(C)(C)OO1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.466

CB1 binding score: -16.84

InChIKey:
KALFBZPUBBMACI-UHFFFAOYSA-N

ID: 125193

SMILES:
C(C1C(c2c(O)cc(CCCC(O)CC)cc2O)OC1(C)CCC=C(C)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -15.421

InChIKey:
BNPYFNVTBSFUHL-UHFFFAOYSA-N

ID: 125194

SMILES:
c1(O)c2c(cc(NCCC(C)C)c1O)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 345.483

CB1 binding score: -13.477

InChIKey:
POTWFCIOWRWMGI-UHFFFAOYSA-N

ID: 125195

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)-c2c1ccc(C)c2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -16.241

InChIKey:
AHUCYLKWRFGGEY-UHFFFAOYSA-N

ID: 125196

SMILES:
CC(C1CCC(C)=CC1c1cc(O)cc(C)c1)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -17.706

InChIKey:
FBXSVXARSUKKDJ-UHFFFAOYSA-N

ID: 125197

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C=O)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.053

InChIKey:
HQRKNUDGMPVIMO-UHFFFAOYSA-N

ID: 125198

SMILES:
O=Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -16.977

InChIKey:
LZVIFLQZWZKIDX-UHFFFAOYSA-N

ID: 125199

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C(O)=O)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -20.052

InChIKey:
YOVRGSHRZRJTLZ-UHFFFAOYSA-N

ID: 125200

SMILES:
C12C(CCC1C)C(C)(C)Oc1c2c(O)c(CC=C(C)C)c(C(=O)OC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.727

InChIKey:
MMFIEQAFZOSYPP-UHFFFAOYSA-N

ID: 125201

SMILES:
C(CCC(C)=CCc1c(O)cc(CCC)c(C(O)=O)c1O)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -19.667

InChIKey:
FAVCTJGKHFHFHJ-UHFFFAOYSA-N

ID: 125202

SMILES:
C1C(C2(C)C3CCC(C)=CC3c3c(O)cc(CCC)cc3O2)OC(C)(C)C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -17.772

InChIKey:
DXSKWECIJWKGDI-UHFFFAOYSA-N

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125182–125202 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