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Molecule Identifiers
Molecular Properties

ID: 115942

SMILES:
CC(c1ccc2c(c1)OC(C)(C)C1C2CC(C)=CC1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.416

CB1 binding score: -16.491

InChIKey:
DDMAJYBOKGHRLF-UHFFFAOYSA-N

ID: 115943

SMILES:
CC1(C)C2=C(c3c(O)cc(CCCCC)cc3OC2(C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.931

InChIKey:
ACIYIPIYUKZQNF-UHFFFAOYSA-N

ID: 115944

SMILES:
c1(O)cc(C)cc(OC)c1C1C=C(C)C(=O)CC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -15.519

InChIKey:
JVAFWUUIUDPTEU-UHFFFAOYSA-N

ID: 115945

SMILES:
Oc1cc(CCC)cc2c1C1C=C(C)CC34C(C(C=CC(=C)C)(C=C1)C3C(=O)c1c2cccc1C)OC(C)(C)C4O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 550.739

CB1 binding score: -17.309

InChIKey:
ZKBPUCDFIKLLSK-UHFFFAOYSA-N

ID: 115946

SMILES:
c1(O)c2c(c3cc1CC=C(C)C)OC(C)(C)C1CCC(C)(O3)C1CC=C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -13.878

InChIKey:
UHYAKZTVLXDUBD-UHFFFAOYSA-N

ID: 115947

SMILES:
Cc1cc2c(cc1)C(C)(C)Oc1cc(CCCCCOC(=O)CCCCCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.662

CB1 binding score: -15.074

InChIKey:
FLPJLMPWMAMWDJ-UHFFFAOYSA-N

ID: 115948

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 384.604

CB1 binding score: -20.123

InChIKey:
WYEFRBILENQYOH-UHFFFAOYSA-N

ID: 115949

SMILES:
CC(OC1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2CC1=C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -17.402

InChIKey:
ZREHUYKORCUCPS-UHFFFAOYSA-N

ID: 115950

SMILES:
CC(=CCc1c(OC)cc(CCCCC)cc1O)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 115951

SMILES:
O(c1c2c(ccc1C)C(C)(C)Oc1ccc(O)cc1-2)C(CC(CCCCCC)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -15.116

InChIKey:
FXJJLVDWOJPOLO-UHFFFAOYSA-N

ID: 115952

SMILES:
CCc1cc(CO)c(O)c2c1OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -14.156

InChIKey:
OXPNUEVGKPURJE-UHFFFAOYSA-N

ID: 115953

SMILES:
CC(OC1CC2C(C)(C)Oc3c(C(=O)C)c(C)cc(O)c3C2C(C)=C1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.434

CB1 binding score: -15.519

InChIKey:
MHVBZKZUNMMITH-UHFFFAOYSA-N

ID: 115954

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 115955

SMILES:
C(C)(C(CC1C(C)(C)O1)O)=CCc1c(O)cc(CCCCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -17.433

InChIKey:
YEEUNYDVYKWTJJ-UHFFFAOYSA-N

ID: 115956

SMILES:
C(CC)CCCc1cc(OC)c(O)c2c1OC(C)(C)C1CCC(C)(O)C=C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -16.372

InChIKey:
POMZQNZSEYWWEE-UHFFFAOYSA-N

ID: 115957

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(O)C)CCC(C)(O)C1C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.369

InChIKey:
UZGPMGSNNVJGFX-UHFFFAOYSA-N

ID: 115958

SMILES:
C1(c2c(O)cc(CC)cc2O)C(C(C)=C)CCC1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -17.413

InChIKey:
CBPWDDBVKIFXRH-UHFFFAOYSA-N

ID: 115959

SMILES:
C(C(OC)=O)(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC)C(O)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.612

CB1 binding score: -16.452

InChIKey:
LSICGMCKOKKZPL-UHFFFAOYSA-N

ID: 115960

SMILES:
c12c(cc(OC)c(C3C=C(C)CCC3C(C)=C)c1)OC(C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -13.522

InChIKey:
GHYICQDINLEAPZ-UHFFFAOYSA-N

ID: 115961

SMILES:
O=C(OC1c2c(O)cc(CCCCC)cc2OC(C)(C)C2CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -15.059

InChIKey:
TWKIPHNVTUYGNZ-UHFFFAOYSA-N

ID: 115962

SMILES:
C1=C(CO)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C(CO)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -13.455

InChIKey:
XISIOBBCHMDOSM-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties