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Molecule Identifiers
Molecular Properties

ID: 30304

SMILES:
C12(C)CCC(CC1)c1c(O)cc(CCCCC)cc1O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -16.576

InChIKey:
GMEJVDZUACUSNB-UHFFFAOYSA-N

ID: 30305

SMILES:
C1(c2c(O)ccc(CCCCC)c2O)CC(C)=CCC1C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -13.191

InChIKey:
VRJBAABNMSUEHU-UHFFFAOYSA-N

ID: 30306

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -18.748

InChIKey:
UHRCXKCSCBRZGD-UHFFFAOYSA-N

ID: 30307

SMILES:
CC(C)=CCCC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 30308

SMILES:
C(c1c(O)c2c(cc1CCCCC)OC(C)(C)C1CC=C(C)C(=O)C21)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -15.808

InChIKey:
WFEFZEUBNOWOAT-UHFFFAOYSA-N

ID: 30309

SMILES:
c1(O)c(C=O)c2c(cc1CCC(=O)OC)OC(C)(C)C1CC=C(CO)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.433

CB1 binding score: -16.925

InChIKey:
DKHNZABBTKZAKB-UHFFFAOYSA-N

ID: 30310

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 30311

SMILES:
CCCCCCCCC(C)(c1c(O)cc2c(c1O)CC(O)C(C)(C)O2)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.526

CB1 binding score: -15.636

InChIKey:
QQLRNPASBGOILR-UHFFFAOYSA-N

ID: 30312

SMILES:
C12=CC(c3c(O)c(C(=O)O)c(CCC)cc3O)OC(C)(C)C1CCC(C)=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -14.694

InChIKey:
UTSKCGZFVOPROP-UHFFFAOYSA-N

ID: 30313

SMILES:
CC(C1C(c2c(O)ccc(CCCCC)c2)CC(C)=CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -16.833

InChIKey:
AHAMTJVSLQYAMH-UHFFFAOYSA-N

ID: 30314

SMILES:
C(C=C(C)C=CCC(C)=CCc1c(O)c(C)cc(O)c1)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -17.339

InChIKey:
YJIJQYKRECIVSO-UHFFFAOYSA-N

ID: 30315

SMILES:
C(CC(C)=CCCC(C)=CCc1c(O)cc(CCC)cc1O)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 342.523

CB1 binding score: -16.827

InChIKey:
STQBHRSTOAONBF-UHFFFAOYSA-N

ID: 30316

SMILES:
C(CCCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 30317

SMILES:
O=C(c1ccccc1)OC1CC(C)=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.585

CB1 binding score: -14.865

InChIKey:
DYBCEMLNAZDLPJ-UHFFFAOYSA-N

ID: 30318

SMILES:
C1=C(C)CCC(O)C(C)(C)Oc2c1c(O)cc(CCCCC)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.797

InChIKey:
MGIXWSVEBQSULG-UHFFFAOYSA-N

ID: 30319

SMILES:
C(CCC)CCc1cc(O)c(CC2C(C)=CCCC2(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -16.438

InChIKey:
DCJOLWMWRGSJRI-UHFFFAOYSA-N

ID: 30320

SMILES:
C(CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.892

InChIKey:
YCSIDAUWCFLSQK-UHFFFAOYSA-N

ID: 30321

SMILES:
C(c1c(CCCCC)cc2c(c1O)C1OC(C)(C)C3CCC(C)(O1)C32)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.929

InChIKey:
DOUXOTHLCBITBA-UHFFFAOYSA-N

ID: 30322

SMILES:
C(C)OCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.096

InChIKey:
RTVWSVIUTJDASR-UHFFFAOYSA-N

ID: 30323

SMILES:
C(=C(C)C)CCC1(C)Oc2c(c(O)cc(CCCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -17.049

InChIKey:
NUZUHYOOBWORFT-UHFFFAOYSA-N

ID: 30324

SMILES:
c12c(c(O)cc(CCCCC)c1)-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -17.512

InChIKey:
MHSYVZRTKSNMPN-UHFFFAOYSA-N

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30304–30324 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