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Molecule Identifiers
Molecular Properties

ID: 123607

SMILES:
CC(C)C1CC(OC(C)=O)C(C)=CC1c1c(O)cc(CCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: Not available

InChIKey:
DDSDJYRPQCIZNZ-UHFFFAOYSA-N

ID: 123608

SMILES:
C(C=C(CCC=C(C)C)C)c1c(OC)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -18.913

InChIKey:
GDBWRAFIFHBEOL-UHFFFAOYSA-N

ID: 123609

SMILES:
c1(C)ccc2c(c1)OC(C)(C)C1=C(O)C(=O)C(C)=C(CC=C(C)C)C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.447

CB1 binding score: -16.373

InChIKey:
RALNSHXKZPDTJK-UHFFFAOYSA-N

ID: 123610

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC2C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -16.048

InChIKey:
STKGVTUAESMZDB-UHFFFAOYSA-N

ID: 123611

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -16.015

InChIKey:
NABVCXMEOJCMBX-UHFFFAOYSA-N

ID: 123612

SMILES:
C(C(CCC=C(C)C)=CCCc1cc(O)c2c(c1)OC(C)C2)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -14.605

InChIKey:
KFQINCIZNMELRD-UHFFFAOYSA-N

ID: 123613

SMILES:
C(C=C(C)C)CC1=CCCC(C)(O)C2Cc3c(ccc(O)c3C(C)(C)C)C(=O)OC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -16.107

InChIKey:
NAUMKSJSYKJVCY-UHFFFAOYSA-N

ID: 123614

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.036

InChIKey:
OARZCGCRBVCFSX-UHFFFAOYSA-N

ID: 123615

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -19.572

InChIKey:
KKASRYPDNSSAPZ-UHFFFAOYSA-N

ID: 123616

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.585

CB1 binding score: -15.116

InChIKey:
FAPUBMBKJLRZEV-UHFFFAOYSA-N

ID: 123617

SMILES:
C=C1C2C(O)C(C(CCC=C(C)C)C)CCC(C)=CC2c2c(O)cc(CCCCC)cc12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.68

CB1 binding score: -15.472

InChIKey:
BDYUTYLSSNEHFY-UHFFFAOYSA-N

ID: 123618

SMILES:
C(CCC)c1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -17.162

InChIKey:
PSJHECMYRKFEQA-UHFFFAOYSA-N

ID: 123619

SMILES:
c1(CCCCC)c(C(=O)O)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CCC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -14.388

InChIKey:
MEHVFODXCXBYCX-UHFFFAOYSA-N

ID: 123620

SMILES:
c1(OC)cc(O)c(Cl)c2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 308.805

CB1 binding score: -16.699

InChIKey:
AXNSXCYDRIWDGD-UHFFFAOYSA-N

ID: 123621

SMILES:
COc1c(OC)cc2c(c1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -17.435

InChIKey:
SSIGKPGSHNTVSK-UHFFFAOYSA-N

ID: 123622

SMILES:
C(CC=C(C)C)C1(C)Oc2cc(CCCCC)cc(O)c2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 123623

SMILES:
C1C2C(C)CCC3C(C2(C)C)Oc4c(c(O)cc(C)c4)C3OC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -14.428

InChIKey:
ZRNCMJHCJVRGAY-UHFFFAOYSA-N

ID: 123624

SMILES:
O1c2c(OC)cc(CCCCC)cc2C2C1C1(C)CC(C(C(C)=C)O)C(C(=C)C)C1C=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.69

CB1 binding score: -15.309

InChIKey:
HGEAAPMMWAMIDR-UHFFFAOYSA-N

ID: 123625

SMILES:
C(=C)(C1CCC(C)=CC1c1c(O)cc(C)cc1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.801

InChIKey:
MISWBPJELUDMFI-UHFFFAOYSA-N

ID: 123626

SMILES:
C1(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)CC(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.563

InChIKey:
CODIXLGYYWMJFS-UHFFFAOYSA-N

ID: 123627

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.957

InChIKey:
OANGEIYPAQYPQV-UHFFFAOYSA-N

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123607–123627 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