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Molecule Identifiers
Molecular Properties

ID: 126778

SMILES:
C1=C(C)C(=O)C2C(C1O)c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -13.813

InChIKey:
MRLKUJDKQZSQMA-UHFFFAOYSA-N

ID: 126779

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 126780

SMILES:
CCCCCc1cc2c(c(O)c1)C1C=C(C)C(=O)OC13C(C)(C=C(C)C2)O3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.473

CB1 binding score: -15.588

InChIKey:
FOSJGNACCRWBOL-UHFFFAOYSA-N

ID: 126781

SMILES:
CCCCCCc1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c(C(CC(C)C)=O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -12.858

InChIKey:
DDVURZSWGGKERK-UHFFFAOYSA-N

ID: 126782

SMILES:
c1(CC=C(C)C)c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.589

CB1 binding score: -16.96

InChIKey:
OILRBKLLZDECGD-UHFFFAOYSA-N

ID: 126783

SMILES:
C12CC3=CCCC4(C)C(c5c(cc(CO)cc5O)OC13C(=O)OC2(C)C)OC4=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.427

CB1 binding score: -16.527

InChIKey:
FZGQRKGPXQXAOT-UHFFFAOYSA-N

ID: 126784

SMILES:
C1C2C(C)(C)Oc3cc(C)cc(O)c3C2C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 126785

SMILES:
C1C(C(=C)C)C(c2c(O)cc(O)cc2CCC(O)C)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -13.885

InChIKey:
PYHVHMBFYNTKBV-UHFFFAOYSA-N

ID: 126786

SMILES:
C(C)(=C)C1CCC(C)=CC1c1c(O)c(Cl)c(C)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.806

CB1 binding score: -17.089

InChIKey:
FTQZZLWTLIYGRW-UHFFFAOYSA-N

ID: 126787

SMILES:
C12C(C)(C)Oc3c(c(O)c(O)cc3CCC=C(C)C)C1CC(O)C(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -15.625

InChIKey:
NRXHUJLTIFIORF-UHFFFAOYSA-N

ID: 126788

SMILES:
c12c(ccc(CCCCC)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.189

InChIKey:
AIOSXAOKGBOYPS-UHFFFAOYSA-N

ID: 126789

SMILES:
C(c1c(O)cc2c(c1)OC(C)(C)C1C(C2CCCC)C(CO)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -15.306

InChIKey:
YPVFQXZKYOBTEH-UHFFFAOYSA-N

ID: 126790

SMILES:
O=C(C(C)(C)O)Oc1cc(CO)c2c(c1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -14.975

InChIKey:
OBPGSMAWWUHLKN-UHFFFAOYSA-N

ID: 126791

SMILES:
C1Oc2c(c(O)cc(CC(O)C3(C)OC(C(C)(O)C)CC3)c2)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.455

CB1 binding score: -16.502

InChIKey:
YFPXJAKAJQTLOC-UHFFFAOYSA-N

ID: 126792

SMILES:
C1(C)(C)C2C(c3c(O)cc(CCCCC)cc3O1)C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.029

InChIKey:
HCVJHHUJBXZYBI-UHFFFAOYSA-N

ID: 126793

SMILES:
C(Cc1cc(O)c2c(c1)OC(C(O)(C)C)CC2)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 250.338

CB1 binding score: -17.645

InChIKey:
PHKJLPBDTGLSDC-UHFFFAOYSA-N

ID: 126794

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 126795

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 126796

SMILES:
c1c(CCCCC)cc2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -17.649

InChIKey:
CBFJCKSFJPWQQA-UHFFFAOYSA-N

ID: 126797

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC1(C)CCC3C(C)(C)CCCC3(C)C1=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -17.82

InChIKey:
MEMCBZLHSBMWMS-UHFFFAOYSA-N

ID: 126798

SMILES:
COc1c(C2C=C(C)CCC2C(C)=C)c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -17.99

InChIKey:
JIAMDLHQCKSETM-UHFFFAOYSA-N

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126778–126798 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