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Molecule Identifiers
Molecular Properties

ID: 107479

SMILES:
c1(C2C(C(C)=C)CCC(C)=C2)c(O)c(CC=C(C)C)c(O)cc1CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.576

InChIKey:
HFAMOACOGKXLSV-UHFFFAOYSA-N

ID: 107480

SMILES:
Oc1c(C2C(C(=CCC=C(C)C)C)CCC(C(=O)O)=C2)c(OC)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -16.655

InChIKey:
VUNSYFHFSHLXLO-UHFFFAOYSA-N

ID: 107481

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C(O)CC(C)=CCC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.973

InChIKey:
LHBATQNREWWXGE-UHFFFAOYSA-N

ID: 107482

SMILES:
CC1(C)Oc2cc(OC)ccc2C2C1CCC(C)=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.687

InChIKey:
UHTAHYZTMUZEEI-UHFFFAOYSA-N

ID: 107483

SMILES:
C(CCC=C(C)C)(=CCc1c(OC)cc(CCCCC)cc1OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -18.913

InChIKey:
GDBWRAFIFHBEOL-UHFFFAOYSA-N

ID: 107484

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CCC)cc2O)C(C(=C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.851

InChIKey:
RIAUCOYAMITEEV-UHFFFAOYSA-N

ID: 107485

SMILES:
O1c2c(c(O)cc(C)c2)C(C(C(C)CC)=O)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -12.12

InChIKey:
OPPFVQXEMMTAKQ-UHFFFAOYSA-N

ID: 107486

SMILES:
C1C(=O)C(C)C2c3c(cc(CCC=C)cc3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: Not available

InChIKey:
SJUIEJAWIGJWSP-UHFFFAOYSA-N

ID: 107487

SMILES:
C(Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.631

CB1 binding score: -16.502

InChIKey:
SLFUUNLXXNAJRG-UHFFFAOYSA-N

ID: 107488

SMILES:
C1C2C(C(C)(CC=CC(O)(C)C)C1O)c1c(O)cc(C=O)c(C)c1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -13.133

InChIKey:
KFEAWYUKPJCQEL-UHFFFAOYSA-N

ID: 107489

SMILES:
C1(C)=CC(OC(=O)C)C2C(C1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -17.152

InChIKey:
AQRXPQHIOXJISX-UHFFFAOYSA-N

ID: 107490

SMILES:
c1(C=CCC=C)cc(OC)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -15.18

InChIKey:
WXUREDYBTYBTSW-UHFFFAOYSA-N

ID: 107491

SMILES:
C12Cc3c(O)cc(CCCCC)cc3OC1(C)CCC2C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.27

InChIKey:
PXLWSVJOMDSCGC-UHFFFAOYSA-N

ID: 107492

SMILES:
C(CC)CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 107493

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 107494

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 107495

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 107496

SMILES:
CC(c1ccc(C2C(C(=C)C)CCC(C)=C2)c(O)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.416

CB1 binding score: -18.086

InChIKey:
OPSHXUAXEWBCRH-UHFFFAOYSA-N

ID: 107497

SMILES:
OC(C1(C)C2c3c(cc(C)cc3O)OC3(C)CC(OC3=O)C12)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.325

CB1 binding score: -15.887

InChIKey:
RPWQABTUSGYNNS-UHFFFAOYSA-N

ID: 107498

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(CCC(=O)OC)c(O)cc3CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.929

InChIKey:
DWCLNHBEIUFTQT-UHFFFAOYSA-N

ID: 107499

SMILES:
CC1(C)Oc2c(c(O)cc(CCCC)c2)C2C1CC=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

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107479–107499 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