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Molecule Identifiers
Molecular Properties

ID: 103657

SMILES:
c1c(C)c(O)cc2c1OC1(C(C)C)OC(C)(C(O)CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Miscellaneous meroterpenoids

MW: 346.467

CB1 binding score: -16.625

InChIKey:
YYIYPKGSKGDGDT-UHFFFAOYSA-N

ID: 103658

SMILES:
C1(C)C2(CCC(C)=CC2=O)c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -8.209

InChIKey:
MPSICGCDESHYBJ-UHFFFAOYSA-N

ID: 103659

SMILES:
C(=C(CCC=C(C)CCC=C(C)C)C)c1c(O)cc(C)c(C(Oc2cc(O)c(C3C=C(C)CCC3C(=C)C)c(O)c2)=O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 584.797

CB1 binding score: -16.092

InChIKey:
GCMXSWAGQZICKX-UHFFFAOYSA-N

ID: 103660

SMILES:
c12cc(CCCCC)cc(O)c1CC(C)=CCCC1=CC(C2)OC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -13.564

InChIKey:
WHWUEQVAYVSENQ-UHFFFAOYSA-N

ID: 103661

SMILES:
CC1(C)Oc2cc(CCCCC)cc(OC)c2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 103662

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(C(=C)C)CCC(C)(O)C1CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -16.749

InChIKey:
PRAHNTGRQUHGGG-UHFFFAOYSA-N

ID: 103663

SMILES:
C(C)CCc1c(O)cc(CC=C(C)CCC=C(CCC=C(C)C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 370.577

CB1 binding score: -17.457

InChIKey:
DLJCIDWRVPIBHD-UHFFFAOYSA-N

ID: 103664

SMILES:
C(=C(C)C)COOc1c(O)cc(C(OCCCC)=O)cc1C1C=C(C)CCC1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: -14.028

InChIKey:
ZTMKBUASHMTPBX-UHFFFAOYSA-N

ID: 103665

SMILES:
Oc1c(CC=C(C)CCC=C(C)C)c(O)c(C(=O)O)c(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 103666

SMILES:
CC1=CC2(O)C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.967

InChIKey:
VBOYMLLQKXWJNR-UHFFFAOYSA-N

ID: 103667

SMILES:
C1(CO)(C)C2C(=Cc3c(O)cc(CCCCC)cc3OC(C)(C)C2=O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -12.238

InChIKey:
JKAIWCZVHJOEMS-UHFFFAOYSA-N

ID: 103668

SMILES:
C(Cc1ccc(O)c(C2C=C(C)CCC2C(=C)C)c1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.28

InChIKey:
DCDBRWFMISWJED-UHFFFAOYSA-N

ID: 103669

SMILES:
C(C)(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC)(C)OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -16.145

InChIKey:
AAKMUXZVEJTIOR-UHFFFAOYSA-N

ID: 103670

SMILES:
C1(=O)CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C1(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -16.217

InChIKey:
PADCBQORVCGQFQ-UHFFFAOYSA-N

ID: 103671

SMILES:
C1C2(C)Oc3cc(CCCCC)cc(O)c3C=C(C(C)C)C2C(=O)c2c1cccc2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.55

CB1 binding score: -14.166

InChIKey:
IOUIZJOYUVCWHO-UHFFFAOYSA-N

ID: 103672

SMILES:
CC1(C)C2CC=C(CO)CC2c2c(cc(CCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -20.193

InChIKey:
JBVDVYKKJWEHPH-UHFFFAOYSA-N

ID: 103673

SMILES:
C1CC(C(=C)C)C(c2ccccc2O)C=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.767

InChIKey:
FFUBTKRHDZNPRU-UHFFFAOYSA-N

ID: 103674

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 103675

SMILES:
C(C)(=O)OC1C2(O)C(C(O)C(Cl)(C)C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.964

CB1 binding score: -14.763

InChIKey:
SCYMPHHQCMRVBB-UHFFFAOYSA-N

ID: 103676

SMILES:
C1C2C(CC(C)=C1)c1c(cc(C)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.619

InChIKey:
MMZAEMNNHWYQKW-UHFFFAOYSA-N

ID: 103677

SMILES:
C1(O)=CC(C)(C)Oc2c(O)cc(CCCCC)cc21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -15.123

InChIKey:
BCXPRXHBDVFHST-UHFFFAOYSA-N

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103657–103677 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