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Molecule Identifiers
Molecular Properties

ID: 60334

SMILES:
C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -19.442

InChIKey:
FRBSLGKYEBNHLH-UHFFFAOYSA-N

ID: 60335

SMILES:
CC12CCC(C(C)C)C(O)C1c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.015

InChIKey:
PNGZLIGTJPGAIU-UHFFFAOYSA-N

ID: 60336

SMILES:
C=C(C1(CC=C(C)C)Oc2c(c(O)cc(CCCC)c2)C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.162

InChIKey:
VWHCNBQSPAKDLK-UHFFFAOYSA-N

ID: 60337

SMILES:
c1(CCc2c(O)c(CC=C(CCC=C(C)C)C)c(O)cc2CCCCC)c(O)c(C(=O)O)c(O)c(CC=C(C)C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 580.762

CB1 binding score: -12.563

InChIKey:
SQLKIHQMRGICRS-UHFFFAOYSA-N

ID: 60338

SMILES:
C1CC(=C)C2C1c1c(O)cc(CCC)cc1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -15.068

InChIKey:
XLQLRVLYZJFJMI-UHFFFAOYSA-N

ID: 60339

SMILES:
Oc1cc(CCCCC)cc2c1C1C=C(C(O)=O)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -20.052

InChIKey:
YOVRGSHRZRJTLZ-UHFFFAOYSA-N

ID: 60340

SMILES:
C(CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.354

InChIKey:
OJTMRZHYTZMJKX-UHFFFAOYSA-N

ID: 60341

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -18.748

InChIKey:
LLAAZDYTZYGRPH-UHFFFAOYSA-N

ID: 60342

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.281

InChIKey:
XRMAOXZXTDWHKU-UHFFFAOYSA-N

ID: 60343

SMILES:
c12c(OC)cc(CCOC)cc1OC(c1ccc(OC)cc1)C1C(C)(C)C(C(=O)C=CC)CCC(C)C21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 506.683

CB1 binding score: -13.19

InChIKey:
RYZGPGSEWJKTKJ-UHFFFAOYSA-N

ID: 60344

SMILES:
c1(O)c2c(cc(O)c1CCC(C)CCC=C(C)CCC=C(C)C)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.706

CB1 binding score: -16.249

InChIKey:
HZRBZTYUQYUXJG-UHFFFAOYSA-N

ID: 60345

SMILES:
C(CCc1cc2c(c(O)c1)C1C=C(CO)CCC1(C)O2)CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.366

InChIKey:
IQQQXNUSPLUZIW-UHFFFAOYSA-N

ID: 60346

SMILES:
C(=CCc1c(O)cc(CCC)cc1O)(CCC=C(C)C)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.998

InChIKey:
YXQZQYZQJAXTEM-UHFFFAOYSA-N

ID: 60347

SMILES:
c1c(CCCCC)cc2c(c1O)OC(CC=C(C)CCC=C(C)C)(C)CC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -17.033

InChIKey:
YITLJKLNTYRFTB-UHFFFAOYSA-N

ID: 60348

SMILES:
C1(C)(C)Oc2cc(CCCCCC)cc(O)c2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 60349

SMILES:
O(C)c1cc(CCCCC)cc(O)c1C1C=C(CCC=C(C)C)C(=O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -17.32

InChIKey:
IFESJQLSBVMDMJ-UHFFFAOYSA-N

ID: 60350

SMILES:
CC1C2Cc3c(O)c(C(=O)C)c(CCCCC)cc3OC2(C)CC(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -13.882

InChIKey:
CEPWVBDXJIGSNE-UHFFFAOYSA-N

ID: 60351

SMILES:
C12=C(C)C(=O)CC13c1c(cc(CCCCC)cc3O1)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -15.577

InChIKey:
QYROGTQADGUIGV-UHFFFAOYSA-N

ID: 60352

SMILES:
Cc1cc(O)c2c(c1)OC1(C)C2CC(C(C)C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -16.893

InChIKey:
ZSJBSHYVMIYMFH-UHFFFAOYSA-N

ID: 60353

SMILES:
C1CC(O)(C)CC2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -20.807

InChIKey:
KSGRDIFQZVURIF-UHFFFAOYSA-N

ID: 60354

SMILES:
c1(CCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)C(O)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.83

InChIKey:
GPDMAFBIOXEZSG-UHFFFAOYSA-N

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60334–60354 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