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Molecule Identifiers
Molecular Properties

ID: 91351

SMILES:
Oc1c2c(cc(Cc3cc(C)cc(O)c3CC(O)C(C)C)c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.619

CB1 binding score: -14.429

InChIKey:
MEUFAXXJCAFXDO-UHFFFAOYSA-N

ID: 91352

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.933

InChIKey:
OYGHDAUUXIRTAQ-UHFFFAOYSA-N

ID: 91353

SMILES:
c1c(CCCCC)cc2c(c1O)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.779

InChIKey:
ZSDJPGLYWNHCIW-UHFFFAOYSA-N

ID: 91354

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1CC(C2(C)C)C2C(C)(O2)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.775

InChIKey:
RKKKRKFIISJTOR-UHFFFAOYSA-N

ID: 91355

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -18.264

InChIKey:
JSQZQNWIVUSPJH-UHFFFAOYSA-N

ID: 91356

SMILES:
c1(CCCC)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 91357

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 91358

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.259

InChIKey:
WFTBFWSFHUBGBO-UHFFFAOYSA-N

ID: 91359

SMILES:
CC1=CC2C(C(C)(C)Oc3c2c(O)cc(C)c3)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 91360

SMILES:
C12(C)Oc3c(c(O)cc(CCC)c3)C(O)C1C(C)(O)CCC2C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -16.216

InChIKey:
MJWOHFBYIPGBLA-UHFFFAOYSA-N

ID: 91361

SMILES:
C1(C)(C)C2C3(c4ccc(CCCCC)cc4OC13)CO2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -14.058

InChIKey:
ZYDPSBPUKPBRLA-UHFFFAOYSA-N

ID: 91362

SMILES:
C12C(c3c(cc(CCCCC)cc3O)OC1C)OC(=O)C2=C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -15.517

InChIKey:
QRYPHGHPKJWCBT-UHFFFAOYSA-N

ID: 91363

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.498

CB1 binding score: -14.53

InChIKey:
BCUVAPJTMYKWPZ-UHFFFAOYSA-N

ID: 91364

SMILES:
c12c(OC)cc(CCCCC)cc1OC(C)(C)c1c-2cc(C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -18.629

InChIKey:
YEDIZIGYIMTZKP-UHFFFAOYSA-N

ID: 91365

SMILES:
C(C=C(C)C)CC(=CCc1cc(OC(=O)C)cc(CCCCC)c1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -14.963

InChIKey:
KVGINPRGCQCMHV-UHFFFAOYSA-N

ID: 91366

SMILES:
CCCCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 91367

SMILES:
C(C)CCCCc1cc2c(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: 91368

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(c1c(O)cc(CCCCC)cc1O)C(C)CC2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -13.062

InChIKey:
AJVSUCCZDGYWIP-UHFFFAOYSA-N

ID: 91369

SMILES:
C1C(O)CC2(C)C(C1C)C(C(C)=C)CC1c3c(c(C(=O)C(CC)O)c(O)cc3OC)OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 500.676

CB1 binding score: -13.46

InChIKey:
AHUNVWWSZUEMKL-UHFFFAOYSA-N

ID: 91370

SMILES:
c1(OC)c2c(c(C(=O)C(CC)C)c(OCC=C(CCC=C(C)C)C)c1)OC(C)(C)C1CCC(C)=CC1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 510.715

CB1 binding score: -14.654

InChIKey:
NQOPCEXOQMVDOX-UHFFFAOYSA-N

ID: 91371

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.851

InChIKey:
JTURRNPFLSLRGD-UHFFFAOYSA-N

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91351–91371 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