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Molecule Identifiers
Molecular Properties

ID: 78058

SMILES:
c1c(CCCCC)cc(O)c2c1OC1(C)CCC(C(=CCC=C(C)C)C)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -15.784

InChIKey:
ZXELORNWIIESOS-UHFFFAOYSA-N

ID: 78059

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.707

InChIKey:
YJEHFMPBBPFUKH-UHFFFAOYSA-N

ID: 78060

SMILES:
O1c2cc(CCC)cc(O)c2C2Oc3c(c(O)c(CCCCC)c4c3CC1C(C)(C)O4)cc2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.575

CB1 binding score: -13.674

InChIKey:
KUDKZEQTTFGTKB-UHFFFAOYSA-N

ID: 78061

SMILES:
COC1(C)C2(O)CC(C)=CCCC(C)=CCC1c1c(O)cc(CCCCC)cc1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -16.798

InChIKey:
GYWBJCMDCHKLSD-UHFFFAOYSA-N

ID: 78062

SMILES:
C=C1C23C4(c5c(O)cc(CCCCC)cc5OC(C)(C2)C4=O)C(C)(COC3=O)C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 424.537

CB1 binding score: -14.773

InChIKey:
VWHHWXYYSQLVQE-UHFFFAOYSA-N

ID: 78063

SMILES:
OC(c1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -18.309

InChIKey:
KYBSQVMEBKBMOK-UHFFFAOYSA-N

ID: 78064

SMILES:
C1(CCC(=C)C)C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C(O)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -13.39

InChIKey:
SZTXAJKYZIULCO-UHFFFAOYSA-N

ID: 78065

SMILES:
Oc1cc(CC=C(C)C)c(O)c2c1C1CC(C)(O2)CCC1C(C)(C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.21

InChIKey:
MATMHWRDNYGBGS-UHFFFAOYSA-N

ID: 78066

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1C(O)(O2)C(C)(C)C2=C(C(=O)C(C)(C)O2)C2(O)C(O)CC(C)(C)OC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 516.631

CB1 binding score: -15.931

InChIKey:
XNQOGIGHVJYHRQ-UHFFFAOYSA-N

ID: 78067

SMILES:
C1(C)(C)Oc2cc(CCCCC)c(O)c(O)c2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.996

InChIKey:
XXGMIHXASFDFSM-UHFFFAOYSA-N

ID: 78068

SMILES:
C(CC(C)CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -17.19

InChIKey:
IMKUVCVBVYYUNO-UHFFFAOYSA-N

ID: 78069

SMILES:
C1CC(C)CC(O)C2C(C)(C)Oc3cc(O)cc(C(O)C(C)C)c3C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -16.591

InChIKey:
NVFIGZZAMARJRA-UHFFFAOYSA-N

ID: 78070

SMILES:
c1(CCCCC)cc2c(cc1O)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.041

InChIKey:
UMOQSYCBNIIJKH-UHFFFAOYSA-N

ID: 78071

SMILES:
C(CC)=CCc1cc(O)c2c(c1)OC(C)(C)C1(O2)CC=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.998

InChIKey:
XHMTXCXTVRZEOI-UHFFFAOYSA-N

ID: 78072

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.354

InChIKey:
OJTMRZHYTZMJKX-UHFFFAOYSA-N

ID: 78073

SMILES:
CC1=CC(c2c(OC)ccc(CCN(C)C)c2)C(C(=C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 313.485

CB1 binding score: -18.294

InChIKey:
GJDVDGGMUGCJGX-UHFFFAOYSA-N

ID: 78074

SMILES:
OC1CC2C(C)(C)Oc3c(c(O)cc(CCC)c3)C2CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -18.889

InChIKey:
UPEBTOVGNPOJQR-UHFFFAOYSA-N

ID: 78075

SMILES:
c1(C=O)c2c(ccc1CCCCCC)OC(C)(C)C1CCC(O)(C)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.929

InChIKey:
XLEZOKMTXRRFAD-UHFFFAOYSA-N

ID: 78076

SMILES:
C(CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)C1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.545

InChIKey:
GRTQLMYQRLRBMX-UHFFFAOYSA-N

ID: 78077

SMILES:
C(c1c(O)cc2c(c1)OC(C)(C)C1CC=C(C)CC21)C=C(C)CCC=C(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.691

CB1 binding score: -14.605

InChIKey:
XYTAYQLZNRJWHN-UHFFFAOYSA-N

ID: 78078

SMILES:
CC(C)C1C2CC(C)=CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -14.421

InChIKey:
JUWPYWCJVBSZRK-UHFFFAOYSA-N

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78058–78078 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