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Molecule Identifiers
Molecular Properties

ID: 75160

SMILES:
C1C23c4c(cc(CCC(CC)O)cc4O)OC(C)(C)C2CCC(C)(C32C(=CC(=O)CC2)C(C)(C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 508.743

CB1 binding score: -15.817

InChIKey:
ZGAWWDNCQNYLFQ-UHFFFAOYSA-N

ID: 75161

SMILES:
C(CCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -20.649

InChIKey:
ZHYPKENABBMAAN-UHFFFAOYSA-N

ID: 75162

SMILES:
C1(C)=CCCC2(C)Oc3c(c(O)cc(CCC)c3)C(C3C(=O)C=CC(C)(C)O3)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -13.968

InChIKey:
KGBJPTIYLVSREY-UHFFFAOYSA-N

ID: 75163

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 75164

SMILES:
c1(CCCC)c(O)cc2c(c1O)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.595

InChIKey:
GEIWRNDRXJJSPB-UHFFFAOYSA-N

ID: 75165

SMILES:
Oc1c(C)c(O)cc2c1C1C(CCC(CO)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -16.681

InChIKey:
DRUJYLZJSGZLHF-UHFFFAOYSA-N

ID: 75166

SMILES:
C12C(C=C(C)Cc3c(O)c(C(=O)O)c(CCCCC)cc3O1)OC(C(C(C)CCC=C(C)CO)=C)=C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 510.671

CB1 binding score: -15.612

InChIKey:
ILGZMKXKZPKVHX-UHFFFAOYSA-N

ID: 75167

SMILES:
C1CC(C)OC12C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.494

InChIKey:
MNUYKWLUIJHNGG-UHFFFAOYSA-N

ID: 75168

SMILES:
Oc1cc(CCCC)cc2c1OC(C)(C)C1CC=C(C)C(=O)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -17.009

InChIKey:
PHKKEGRZTZZLAI-UHFFFAOYSA-N

ID: 75169

SMILES:
C(CCC=C(C)C)(=CCCC1(C)Oc2c(CCCCC)cc(O)cc2C=C1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -18.576

InChIKey:
NHELTMDSPNDYML-UHFFFAOYSA-N

ID: 75170

SMILES:
c1(CCCCC)c2c(ccc1O)-c1c(ccc(C)c1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -14.965

InChIKey:
IPPMHDIGORRMLS-UHFFFAOYSA-N

ID: 75171

SMILES:
C1(C)(C)OC(=O)C2=C1C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -17.646

InChIKey:
YUKHEFFPTZKYGQ-UHFFFAOYSA-N

ID: 75172

SMILES:
Oc1c(C(O)=O)c(CCCC)cc(O)c1C=CC(C)(O)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.466

CB1 binding score: -15.443

InChIKey:
ZRCKRJQARSTKLY-UHFFFAOYSA-N

ID: 75173

SMILES:
C1C(C)=CCC2C1c1c(cc(C)c(Br)c1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 337.257

CB1 binding score: -18.08

InChIKey:
ALGFBZJEEXXPIK-UHFFFAOYSA-N

ID: 75174

SMILES:
C1CC2C(C)(C)Oc3cc(CCc4ccccc4)cc(O)c3C2CC(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.529

CB1 binding score: -13.267

InChIKey:
ULHJNSNSSBHCKM-UHFFFAOYSA-N

ID: 75175

SMILES:
c1ccc(C)c2c1C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -17.807

InChIKey:
UXMIHAFYFTVPQZ-UHFFFAOYSA-N

ID: 75176

SMILES:
CC12C3C(C3C(=O)C1)OC1c3c(cc(CCCCC)cc3O)OC1(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -14.636

InChIKey:
KPZUCSLNPNYHPH-UHFFFAOYSA-N

ID: 75177

SMILES:
CC1=CC2c3c(cc(CCCCC)c(O)c3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.996

InChIKey:
XXGMIHXASFDFSM-UHFFFAOYSA-N

ID: 75178

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C(=O)O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -20.052

InChIKey:
YOVRGSHRZRJTLZ-UHFFFAOYSA-N

ID: 75179

SMILES:
C(CCCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(CCC=C(C)C)C(OC)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.668

CB1 binding score: -14.056

InChIKey:
ZESMSUIUKHXSCF-UHFFFAOYSA-N

ID: 75180

SMILES:
c1c2c(ccc1O)OC(C)(C)C1CCC(C)(O)C(CCC(C)C=C)=C(C)CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -16.466

InChIKey:
BJSPBVAXTWKFTG-UHFFFAOYSA-N

3577357835793580358135823583
75160–75180 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