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Molecule Identifiers
Molecular Properties

ID: 128248

SMILES:
C12(C)C(=O)C(CC3(c4c(O)cc(C)cc4O1)C(C)(C)O3)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.315

CB1 binding score: -14.905

InChIKey:
MTIIPHGCVISGLC-UHFFFAOYSA-N

ID: 128249

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.759

InChIKey:
NIRSQPIJCAWYGX-UHFFFAOYSA-N

ID: 128250

SMILES:
C(C1(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1)CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.631

CB1 binding score: -16.348

InChIKey:
VNFQFZUZGKXZGG-UHFFFAOYSA-N

ID: 128251

SMILES:
C(C=C)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -19.892

InChIKey:
IHDZBQSJFRBIMW-UHFFFAOYSA-N

ID: 128252

SMILES:
C(C(=O)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12)CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -14.971

InChIKey:
VPOYGVABMUNMPM-UHFFFAOYSA-N

ID: 128253

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C(=C)C)CCC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -16.499

InChIKey:
FHJAICUCZKQCSN-UHFFFAOYSA-N

ID: 128254

SMILES:
OC1C2(C)COc3cc(CCCCC)cc(O)c3C2CC(CO)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -14.083

InChIKey:
LOJXOYCFPXFWGW-UHFFFAOYSA-N

ID: 128255

SMILES:
CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.805

InChIKey:
CDBDULHNWQRYSY-UHFFFAOYSA-N

ID: 128256

SMILES:
C(C1=C2OC(C)(C)C(CCC(O)(C)C)C2C=C(C)CC1)C(CCCCC)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.625

CB1 binding score: -12.984

InChIKey:
NWKDUPBLDYMQOC-UHFFFAOYSA-N

ID: 128257

SMILES:
C(OC)(CC(C)C)CC1(C)C=Cc2c(O)cc(C)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -15.741

InChIKey:
WQLXVHSDAUIXNG-UHFFFAOYSA-N

ID: 128258

SMILES:
CC(=C)C=CCC(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.518

CB1 binding score: -16.438

InChIKey:
OKABYXAJEAIXIY-UHFFFAOYSA-N

ID: 128259

SMILES:
C=C1CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.729

InChIKey:
VHYDABIFTJKCRR-UHFFFAOYSA-N

ID: 128260

SMILES:
C(OCCC)c1cc2c(cc1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -11.527

InChIKey:
AEYBSICTHCUBKB-UHFFFAOYSA-N

ID: 128261

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C=CC(O)(CCC=C(C)C)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -16.756

InChIKey:
ZCSOFAJVIJONQA-UHFFFAOYSA-N

ID: 128262

SMILES:
C1(O)(C)CC2c3c(O)cc(CCC)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.509

InChIKey:
XAJXLANJASZEBB-UHFFFAOYSA-N

ID: 128263

SMILES:
C(CCC)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1C=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -17.8

InChIKey:
RAYRUJHFLUVASM-UHFFFAOYSA-N

ID: 128264

SMILES:
Cc1cc(O)c2c(c1)OCC2CCC=C(COC1OC(=O)CC1C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -14.584

InChIKey:
ZHIDNJNQUHSKSH-UHFFFAOYSA-N

ID: 128265

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(C(=C)C)CCC(C)=C1C2=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -15.21

InChIKey:
HTYRFLIVAPGSNS-UHFFFAOYSA-N

ID: 128266

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2CC(CO)=CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.813

InChIKey:
VFXMJJWYOIGKOM-UHFFFAOYSA-N

ID: 128267

SMILES:
C1C(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 128268

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -17.314

InChIKey:
HEHXSJLDIAWDHO-UHFFFAOYSA-N

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128248–128268 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