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Molecule Identifiers
Molecular Properties

ID: 126442

SMILES:
C(=Cc1cc(O)cc2c1C1C(C(C)(C)O2)CCC(C)=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -17.568

InChIKey:
CRHUHULZMCDJAD-UHFFFAOYSA-N

ID: 126443

SMILES:
OC(=O)c1cc(CCCCC)cc2c1C1C(C(CO)(C)O2)CCC(CO)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -16.082

InChIKey:
NAAGZVMKBOOZPC-UHFFFAOYSA-N

ID: 126444

SMILES:
C12C(C)(C(O)CC=C(C)C)C3C(C1(OC(=O)C)C2)Oc1cc(C)cc(O)c13

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -14.86

InChIKey:
VUXVMCPOQDHDCV-UHFFFAOYSA-N

ID: 126445

SMILES:
C1(C=O)=CCC2C1C1C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CC2C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.609

CB1 binding score: Not available

InChIKey:
HKGOJEWFYWGPDU-UHFFFAOYSA-N

ID: 126446

SMILES:
C1(C(C)C)CC(O)C(O)(C)CC1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.526

CB1 binding score: -14.262

InChIKey:
IYORMFZVXGNWIK-UHFFFAOYSA-N

ID: 126447

SMILES:
c1c(CCCC(O)C)cc(O)c2c1OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.565

InChIKey:
SYXCTKNTNBKDQG-UHFFFAOYSA-N

ID: 126448

SMILES:
O(c1c(OC)c2c(c(OC)c1)C1C(CCC(C)=C1)C(C)(C)O2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -17.786

InChIKey:
KRAAUVWJMATKGE-UHFFFAOYSA-N

ID: 126449

SMILES:
C(c1c(O)c2c(c(C=O)c1)OC(C)(C)C1C2C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -13.485

InChIKey:
SYHMOPOECGSOTP-UHFFFAOYSA-N

ID: 126450

SMILES:
Oc1cc(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: 126451

SMILES:
C(CCc1cc(C2C=C(C)CCC2C(C)=C)c(O)c(O)c1)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -15.318

InChIKey:
SJIZCRACYQBWMC-UHFFFAOYSA-N

ID: 126452

SMILES:
Oc1c(CC=C(C)C)cc(O)c2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.527

InChIKey:
RQXAXYPARIBRLX-UHFFFAOYSA-N

ID: 126453

SMILES:
C1C2CC(O)=C1c1cc(CCCCC)cc(O)c1C2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -16.321

InChIKey:
GQKOWKSTMVDSAS-UHFFFAOYSA-N

ID: 126454

SMILES:
c1(CC2C(C(C)=C)CC=C(C)C2)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.023

InChIKey:
BKWJZIAJZNMFLH-UHFFFAOYSA-N

ID: 126455

SMILES:
Oc1cc(CCCCC)cc2c1C1CC(C(=O)O)CC(O)C1(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -19.788

InChIKey:
HFPWGLJMNPALCH-UHFFFAOYSA-N

ID: 126456

SMILES:
C1(OC(C=Cc2ccccc2)=O)C(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 446.587

CB1 binding score: Not available

InChIKey:
RNTOBXMVUHQAQB-UHFFFAOYSA-N

ID: 126457

SMILES:
c1(CC=C(CCC=C(C)C)C)c2c(cc(O)c1)CC(C(=C)C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.508

CB1 binding score: -11.814

InChIKey:
XVIDGTFGIFHMHS-UHFFFAOYSA-N

ID: 126458

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C)=CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 126459

SMILES:
C1c2cc(CCCCC)cc(OC)c2CC(CCC=C(C)C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -13.725

InChIKey:
LLKMLEMLVPYCEE-UHFFFAOYSA-N

ID: 126460

SMILES:
C12(C)Oc3cc(C)cc(O)c3C1C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 230.307

CB1 binding score: -19.722

InChIKey:
JTHBMMWBTWDAFK-UHFFFAOYSA-N

ID: 126461

SMILES:
C1c2c(O)cc(CCCCC)cc2OC(C)(C)C2CCC(=C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.78

InChIKey:
NROBKQHQUVSAAS-UHFFFAOYSA-N

ID: 126462

SMILES:
C(C)CCCc1cc2c(c(OC)c1)OC(CCC=C(C)C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.7

InChIKey:
CXDMDOGDTCMJBD-UHFFFAOYSA-N

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126442–126462 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