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Molecule Identifiers
Molecular Properties

ID: 130936

SMILES:
C1=Cc2c(OC(C)=O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -17.646

InChIKey:
RVSLORWCYDMGOH-UHFFFAOYSA-N

ID: 130937

SMILES:
C1(=O)CC2(C(=O)O)C(C(C(=C)C)CC2)c2c1cc(CCCCC)cc2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -14.557

InChIKey:
HVTTXRZRLMHUGY-UHFFFAOYSA-N

ID: 130938

SMILES:
c1(C)c(C2=CC(CCC=C(C)C)C(=C)CC2)c(O)cc(CCCCC)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -15.466

InChIKey:
NYLCFUHQWZEARD-UHFFFAOYSA-N

ID: 130939

SMILES:
C(CC(c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)=O)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.88

InChIKey:
GNDLPZNASUORKF-UHFFFAOYSA-N

ID: 130940

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 130941

SMILES:
C1(c2ccc(O)cc2)Oc2cc(CCCCC)cc(O)c2C2CC(O)(C)C(=O)CC(C)(C)C2CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.645

CB1 binding score: -16.363

InChIKey:
USVIHDUNMLRYNM-UHFFFAOYSA-N

ID: 130942

SMILES:
CCCCCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.609

InChIKey:
HAKUWGCTBUVNJQ-UHFFFAOYSA-N

ID: 130943

SMILES:
C1(C(O)=O)=CCCC(C(O)=O)CCc2c(O)cc(C)c(CC=C(CCC=C(C)C)C)c21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.553

CB1 binding score: -14.989

InChIKey:
LMFOVJIDGWRCIL-UHFFFAOYSA-N

ID: 130944

SMILES:
c12c(c(O)c(O)c(C(=O)CCCC)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -17.902

InChIKey:
MZHRWMUDCLQSJJ-UHFFFAOYSA-N

ID: 130945

SMILES:
C(=CCC1c2c(O)cc(CCCCC)cc2OC1(C)C)C(C)=CCCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -14.964

InChIKey:
YYACNHUFXBLPCO-UHFFFAOYSA-N

ID: 130946

SMILES:
c1c(O)c2c(cc1CCCCC)OC13C(C)(C)C(=O)CC1(C2O)C(CCC(C)CCCc1ccccc1)C=CC3C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 558.803

CB1 binding score: -14.804

InChIKey:
VCMBQBDAVQNWOX-UHFFFAOYSA-N

ID: 130947

SMILES:
c1cc(C(C)C)cc(O)c1C1C(C(C)=C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.416

CB1 binding score: -18.086

InChIKey:
OPSHXUAXEWBCRH-UHFFFAOYSA-N

ID: 130948

SMILES:
C1C(C)=CC(c2c(O)cc(OC)cc2C)C(C(=C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -19.478

InChIKey:
WLKIXSCTQBBZSZ-UHFFFAOYSA-N

ID: 130949

SMILES:
c1(CO)c(C(OCCCCCCC)=O)c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.558

CB1 binding score: -16.701

InChIKey:
IJMWYRDXDYIBAR-UHFFFAOYSA-N

ID: 130950

SMILES:
c1(O)c(C=O)c(O)c(C(C(CC)C)=O)c2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids;Phloroglucinols

Class: Cannabinoids;Phloroglucinol-terpene hybrids

MW: 372.461

CB1 binding score: -18.795

InChIKey:
OTDNGRYIMUPGQU-UHFFFAOYSA-N

ID: 130951

SMILES:
Cc1c(O)c(C)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -16.121

InChIKey:
ANJAKWFJVBCYHU-UHFFFAOYSA-N

ID: 130952

SMILES:
CC(=CC1C(C(C)C)(O)C2(C(O)=O)C(CC(C)=CC2)c2c1cc(CCCCC)cc2O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.624

CB1 binding score: -16.784

InChIKey:
XYJAQHKGSBKZGU-UHFFFAOYSA-N

ID: 130953

SMILES:
CC1=CCCC(C)=CC2c3c(cc(CCCC)cc3O2)C(C(C)C)C1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -14.449

InChIKey:
KYXHHFCNZVNKQW-UHFFFAOYSA-N

ID: 130954

SMILES:
c12cc(CCCN)ccc1OC(C)(C)C1C(O)C(C(CCNC)=C)CCC1(C)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.607

CB1 binding score: -15.77

InChIKey:
PYWPFZCKBKKUNG-UHFFFAOYSA-N

ID: 130955

SMILES:
C12(C)Oc3cc(C)cc(O)c3C1CC(C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -15.555

InChIKey:
LNUMAXVNEJGTTJ-UHFFFAOYSA-N

ID: 130956

SMILES:
Oc1c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CCCCC)c1C(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -16.769

InChIKey:
HAXHCMLEXUQMFG-UHFFFAOYSA-N

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130936–130956 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