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Molecule Identifiers
Molecular Properties

ID: 133939

SMILES:
O1CC(C)=C(CCC(=CCCC2(C)Oc3cc(C)cc(O)c3C=C2)C)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -13.201

InChIKey:
COAMOMFZFNRYME-UHFFFAOYSA-N

ID: 133940

SMILES:
C1(CO)=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.174

InChIKey:
CJRHYYRYCGLADH-UHFFFAOYSA-N

ID: 133941

SMILES:
C(CCCC(C1CCC(C)=CC1c1c(O)cc(CCC)cc1O)=C)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -12.01

InChIKey:
ZKUVHBOWYXJGKN-UHFFFAOYSA-N

ID: 133942

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)c1c-2cc(C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 133943

SMILES:
C(C)CCc1cc(O)c2c(c1)OC(C)(C)C1C(O)CC(C)=CC=C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -12.662

InChIKey:
MUHDHNVHMKPNMO-UHFFFAOYSA-N

ID: 133944

SMILES:
CC1(C)C2CC2C2(C)C(C2Cc2c(O)c(CC=C(C)CCC=C(C)C)cc(O)c2)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.626

CB1 binding score: -12.867

InChIKey:
CLOKILBOINYWNM-UHFFFAOYSA-N

ID: 133945

SMILES:
O=C(c1c(O)c(C2C(C(C)=C)CCC(C)=C2)cc(O)c1)C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -16.355

InChIKey:
JTIAQPJLMLIBRS-UHFFFAOYSA-N

ID: 133946

SMILES:
C1(C)(C)C2CC(OC(=O)C)C(C)(O)CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -16.649

InChIKey:
VSGJSVCYNDIDNH-UHFFFAOYSA-N

ID: 133947

SMILES:
C1C(C)(C)CC2c3c(O)cc(CCCCC)cc3OC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -17.527

InChIKey:
KPAKMHSVMAUNPU-UHFFFAOYSA-N

ID: 133948

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 133949

SMILES:
O=C(c1c(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc1C)C(CCC(C)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -15.929

InChIKey:
BRJYHJPGCAEEBK-UHFFFAOYSA-N

ID: 133950

SMILES:
c1(OC)cccc(O)c1C1C=C(C)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.829

InChIKey:
FPBTVEQKCBCFLI-UHFFFAOYSA-N

ID: 133951

SMILES:
CC(=CC1CC(C)=CC1c1c(CCCCC)cc(O)c(C(O)=O)c1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -13.82

InChIKey:
OUDPRNZVRYBMMT-UHFFFAOYSA-N

ID: 133952

SMILES:
C1C(CO)(C)C2C3(c4c(O)cc(CCCCC)cc4OC(C)(O)C3CC2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -13.386

InChIKey:
GIAGIKNBBVEAJO-UHFFFAOYSA-N

ID: 133953

SMILES:
C1C(C)C2(C(=C(C)C)C1=O)Oc1c(c(O)cc(CCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -14.293

InChIKey:
PDIVFVSHDYCBOL-UHFFFAOYSA-N

ID: 133954

SMILES:
C1(C(C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 133955

SMILES:
Oc1cc(CCCCC)cc2c1CC1C(C)(O2)CCCC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.783

InChIKey:
KPTGTVLDBMVBEX-UHFFFAOYSA-N

ID: 133956

SMILES:
C(CCC)Cc1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 133957

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 133958

SMILES:
C(C(=CCc1cc(O)c(C)cc1OC(C)=O)C)CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -19.332

InChIKey:
HAXRQCRJABYNJC-UHFFFAOYSA-N

ID: 133959

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -18.93

InChIKey:
KYZZGUCXNYLZKE-UHFFFAOYSA-N

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133939–133959 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