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Molecule Identifiers
Molecular Properties

ID: 102922

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -17.841

InChIKey:
KSJNUCFSQJEIEN-UHFFFAOYSA-N

ID: 102923

SMILES:
c1(O)cc2c(c(C)c1)OC(C)(C)C1=C2C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -15.564

InChIKey:
REHHXWDCVQFIMK-UHFFFAOYSA-N

ID: 102924

SMILES:
c12cc(C)cc(O)c1C13C(=O)C4=C(OC(C)(C)C4C1)C(C)(O2)C3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.365

CB1 binding score: -15.989

InChIKey:
OBBGDOAUFRTREF-UHFFFAOYSA-N

ID: 102925

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2)=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 322.448

CB1 binding score: -15.217

InChIKey:
SDLYFGPCFFSBPO-UHFFFAOYSA-N

ID: 102926

SMILES:
c1(CC=C(C)C)cc2c(c(O)c1)C1C=C(C)C3CC(O3)C(C)(O)CC(C1C(=C)C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -16.674

InChIKey:
UUEDHKSKJAJSTO-UHFFFAOYSA-N

ID: 102927

SMILES:
O=C(c1cc(CC2C(C)(C)OC(=O)C2)c(C2C=C(C)CCC2C(C)=C)c(O)c1)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.499

CB1 binding score: -15.116

InChIKey:
SGGXBTLMHLUZGN-UHFFFAOYSA-N

ID: 102928

SMILES:
O(c1cc(CCCC)c(OC)c2c1C1CC(O)(C)CCC1C(C)(C)O2)C(=O)C(C)=CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.585

CB1 binding score: -15.116

InChIKey:
DIWHZWCNEQUMQZ-UHFFFAOYSA-N

ID: 102929

SMILES:
O(c1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 102930

SMILES:
CC12Oc3c(ccc(O)c3)CC1C(CCC=C(C)C)(C)C(C(=C)C)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -15.716

InChIKey:
DIKNUDOTZXKETN-UHFFFAOYSA-N

ID: 102931

SMILES:
C(CCc1cc(O)c2c(c1)C1C(C(C)(C)O1)CCC(C)=C2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -13.384

InChIKey:
ROZOARUKHZERNC-UHFFFAOYSA-N

ID: 102932

SMILES:
CC1(C)C2CCC(C)=CC2c2c(O)cc(C)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 102933

SMILES:
C1(O)C(C)(C)Oc2cc(CCCCC)cc(O)c2CC2C(C)=CCCC2=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -14.084

InChIKey:
MCKCGKNCJLQVLI-UHFFFAOYSA-N

ID: 102934

SMILES:
C12=C(C)CC(=O)C(=C(C)C)C1C1(C(C)CC2)Oc2c(c(O)cc(CCCCC)c2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.582

CB1 binding score: -13.462

InChIKey:
QBMOWSRTIKCFGD-UHFFFAOYSA-N

ID: 102935

SMILES:
CC(=CCCC(C)=CC1Oc2cc(CCCCC)cc(O)c2C1C=CC=CC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.599

CB1 binding score: -15.933

InChIKey:
TVSVYLWKDYPHLR-UHFFFAOYSA-N

ID: 102936

SMILES:
CC1=CC(c2c(O)cc(CCC)cc2OC)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.854

InChIKey:
OZYYEDPTJXVZJQ-UHFFFAOYSA-N

ID: 102937

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 492.653

CB1 binding score: -15.619

InChIKey:
NTSZOWCAFDOMBY-UHFFFAOYSA-N

ID: 102938

SMILES:
C1(C)=CC(c2c(OC)cc(O)cc2CC(C)OC)C(C(C)=CC=CC(C)C)CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -12.338

InChIKey:
SDQMCOXHTMECBM-UHFFFAOYSA-N

ID: 102939

SMILES:
c1c(C)c(C(=O)OC)c2c(c1)C(C)(C)Oc1c-2cc(CCCCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.473

CB1 binding score: -16.735

InChIKey:
UQBHPNVBVPTXSH-UHFFFAOYSA-N

ID: 102940

SMILES:
C(CC(CO)=CCc1c(O)cc(CCCCC)cc1OC)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -17.242

InChIKey:
SGMHJYYFPYJELM-UHFFFAOYSA-N

ID: 102941

SMILES:
c1(O)cc(CCCCC)cc2c1C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 102942

SMILES:
C(CCCc1cc2c(c(O)c1)C1CC3(C)C(O)C=C(C(C)C)CC3C(C)(O2)C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -14.605

InChIKey:
UDLKUZDIUNPJRU-UHFFFAOYSA-N

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102922–102942 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