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Molecule Identifiers
Molecular Properties

ID: 84232

SMILES:
c12cc(CCCCC)cc(OC3C(O)C(O)C(O)CO3)c1OC(C)(C)C1CCC(O)(C)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.572

CB1 binding score: -13.986

InChIKey:
UJHOSORIWNBGEL-UHFFFAOYSA-N

ID: 84233

SMILES:
C1C2C(CC=C1C=O)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.255

InChIKey:
BGIBNWZALWRTHR-UHFFFAOYSA-N

ID: 84234

SMILES:
C1(CO)OC(Oc2c(CC=C(C)CCC=C(C)C)c(O)cc(CCC(CC)OC(=O)C(=CC)C)c2)C(O)C(O)C1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 576.727

CB1 binding score: -13.869

InChIKey:
XSUYBSVYUOBZDK-UHFFFAOYSA-N

ID: 84235

SMILES:
c1(C=O)c(O)c2c(c3c1OC(C)(C)C1C3CC(C)=CC1)OC(C)(C)C1C2CC(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.581

CB1 binding score: -15.457

InChIKey:
UAMSFARIOISLMP-UHFFFAOYSA-N

ID: 84236

SMILES:
COc1c2c(cc(C(O)CC(O)C)c1)OC(C)(C)C1CCC(C)C(O)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.482

CB1 binding score: -15.092

InChIKey:
GKUZWYRQEFQPOR-UHFFFAOYSA-N

ID: 84237

SMILES:
C1CC(C)=CC2C1C(C)(CO)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.583

InChIKey:
AFSGVVWOXYAPKB-UHFFFAOYSA-N

ID: 84238

SMILES:
C(CC)CCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)(O)C(O)C1O

Pathway: Polyketides

Superclass: Chromanes;Meroterpenoids

Class: Azaphilones;Cannabinoids

MW: 390.476

CB1 binding score: -13.128

InChIKey:
HFAYQXHTCJDYHR-UHFFFAOYSA-N

ID: 84239

SMILES:
C1CC(C)=CC(c2c(O)ccc(CCC(C)O)c2)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.647

InChIKey:
LVKYGAKMNNBBCK-UHFFFAOYSA-N

ID: 84240

SMILES:
C1=C(C)CC2C(C(C)(C)Oc3ccc(O)cc32)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.07

InChIKey:
LIEZPCZOEMYUIR-UHFFFAOYSA-N

ID: 84241

SMILES:
C(CCO)c1cc2c(c(O)c1)C=CC(C)(CCC=C(C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.334

InChIKey:
BAFZVHHAFWQFRH-UHFFFAOYSA-N

ID: 84242

SMILES:
CC(C)CC(OC=O)CC(C1c2c(O)cc(CCCCC)cc2O1)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -15.274

InChIKey:
FBVNJXMEQPBKIV-UHFFFAOYSA-N

ID: 84243

SMILES:
CC1C=C(C)Oc2c1c(O)cc(CCCCC)c2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -13.924

InChIKey:
YITCIWVREYOKJY-UHFFFAOYSA-N

ID: 84244

SMILES:
C(c1c(O)c2c(c(CCCCC)c1)OC(C)(C)C1CC=C(C)CC21)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -14.66

InChIKey:
WWFXYTIGTWIKLL-UHFFFAOYSA-N

ID: 84245

SMILES:
c1c(C2=C(CC(C)C)C(=O)C(C)(C)O2)c(O)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -13.639

InChIKey:
UJIVXRMCMUXGNR-UHFFFAOYSA-N

ID: 84246

SMILES:
C1C(=O)C(C)=CC2C(C)(C)CCCC2(C)Oc2c1c(OC)cc(CCCCC)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -16.049

InChIKey:
JJDPOXZJCIQLPF-UHFFFAOYSA-N

ID: 84247

SMILES:
c1(O)cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(O)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.958

InChIKey:
WPDFKBOKUXLBOV-UHFFFAOYSA-N

ID: 84248

SMILES:
C(CCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -15.429

InChIKey:
BSIUOOPICQNXPO-UHFFFAOYSA-N

ID: 84249

SMILES:
C(C(=C)C1C(c2c(O)cc(CCCCC)cc2O)CC(C)CC1)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.015

InChIKey:
IMQFCBHHZIGQHD-UHFFFAOYSA-N

ID: 84250

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC1(C)C2C(C)=CC(=O)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -14.312

InChIKey:
HSHCMTUAGOIDQG-UHFFFAOYSA-N

ID: 84251

SMILES:
C(=CC=O)(c1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CCC(C)=C1)CC(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -15.293

InChIKey:
VKEHUQXRDJHRKQ-UHFFFAOYSA-N

ID: 84252

SMILES:
C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

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84232–84252 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