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Molecule Identifiers
Molecular Properties

ID: 135913

SMILES:
CC(=CCc1cc(O)cc2c1OC(C)(C)C1CCC(C)=CC12)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Miscellaneous meroterpenoids

MW: 312.453

CB1 binding score: -16.393

InChIKey:
GVQOUXQKUINOJB-UHFFFAOYSA-N

ID: 135914

SMILES:
CC(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -20.991

InChIKey:
VUUOQMIMZAXLBK-UHFFFAOYSA-N

ID: 135915

SMILES:
C1(C)=CCC2C(c3c(O)cc(CCCCC)cc31)CC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -16.527

InChIKey:
MJWMUWKSBCCBGC-UHFFFAOYSA-N

ID: 135916

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 135917

SMILES:
c1(C2C=C(C)CCC2C(=CO)C)c(OC(=O)C(C)=O)cc(CC)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -13.749

InChIKey:
ASNVTSLOXAXOMA-UHFFFAOYSA-N

ID: 135918

SMILES:
C(OC)(=O)C1=CC2c3c(OC)cc(CCCCC)cc3OC(C)(C)C2CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -16.908

InChIKey:
UAAPPGGMBVFVAC-UHFFFAOYSA-N

ID: 135919

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 135920

SMILES:
C1(C)(C)C2Cc3c(c(O)cc(CCCCC)c3)C1CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.432

CB1 binding score: -16.585

InChIKey:
TVVHOXDHOVZQSE-UHFFFAOYSA-N

ID: 135921

SMILES:
c1(O)cc(CO)c(CC=C(CC=CC(O)(C)C)C)c(O)c1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -14.605

InChIKey:
QFCWBHAZXLSNED-UHFFFAOYSA-N

ID: 135922

SMILES:
c1(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C(=O)CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -19.215

InChIKey:
UHCIWXZOMHGCJP-UHFFFAOYSA-N

ID: 135923

SMILES:
c1c(C)c2c(cc1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -17.807

InChIKey:
UXMIHAFYFTVPQZ-UHFFFAOYSA-N

ID: 135924

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2C(O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.898

InChIKey:
SUVXTOCRTNYFMQ-UHFFFAOYSA-N

ID: 135925

SMILES:
c1(OC)c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.482

InChIKey:
CIDQYVCFMPFXCM-UHFFFAOYSA-N

ID: 135926

SMILES:
C(CCC(C)=CCOC=C)Cc1cc(O)c2c(c1)OC(C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.587

InChIKey:
VICZTVONPIFXKG-UHFFFAOYSA-N

ID: 135927

SMILES:
CCCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 135928

SMILES:
c1(O)cc(CCCCC)cc2c1C1C=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: 135929

SMILES:
C(c1cc(CCCC)cc(C2C(C(=C)C)CCC(C)=C2)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.498

CB1 binding score: -10.064

InChIKey:
UFXJJAMCGQLGIJ-UHFFFAOYSA-N

ID: 135930

SMILES:
C(C)(=CCCC1(C)C=Cc2c(cc(C)cc2O)O1)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.316

InChIKey:
YJDFTCSNPVWZLT-UHFFFAOYSA-N

ID: 135931

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -17.84

InChIKey:
UYNCPAYUIGKYHP-UHFFFAOYSA-N

ID: 135932

SMILES:
C12C(O)C(O)C3(C(C)(C)Oc4c(C(=O)C(C)C)cc(O)c1c43)CC=C(C)CCC2C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.58

CB1 binding score: -14.718

InChIKey:
RPERQZUBFSMMCP-UHFFFAOYSA-N

ID: 135933

SMILES:
C(c1cc(O)c(C=O)c2c1OC(C)(C)C1C2CC(C)=CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -15.758

InChIKey:
GYFULNQDRCDBFM-UHFFFAOYSA-N

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135913–135933 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