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Molecule Identifiers
Molecular Properties

ID: 92716

SMILES:
O1c2c(cc(CCCC)cc2O)C2C(C3C(C(C)C)CCC13C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.92

InChIKey:
ADBRMBFUJSAPMW-UHFFFAOYSA-N

ID: 92717

SMILES:
C(C)(=CCc1c2c(c(=O)cc(CCCCC)c1)OC(C)(C)CC2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -14.605

InChIKey:
NOCHMSJFYWIPJY-UHFFFAOYSA-N

ID: 92718

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1C=C(CCC=C(C)C)C(O)CC1(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -15.351

InChIKey:
FWYDHZAPCFMWFR-UHFFFAOYSA-N

ID: 92719

SMILES:
C(C)(=CCCC1(C)Oc2cc(CCCCC)cc(O)c2CC1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.002

InChIKey:
ITDDKOGKAGSKEJ-UHFFFAOYSA-N

ID: 92720

SMILES:
C1C(C)CCCC(C)(O)C2=C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -12.891

InChIKey:
QMSBRXHNIAQDHY-UHFFFAOYSA-N

ID: 92721

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -14.771

InChIKey:
CSXYWKKQFPMDLN-UHFFFAOYSA-N

ID: 92722

SMILES:
CC(CCC=C(CO)C)C1=CC2c3c(O)cc(CCCCC)cc3OC(C)(C1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -14.301

InChIKey:
IERRHQFSYCOVCS-UHFFFAOYSA-N

ID: 92723

SMILES:
Oc1c(C(OC)=O)c(CCCCC)cc2c1C1C(C(C)(O)CCC1C(CCC=C(C)C)C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 458.639

CB1 binding score: -15.047

InChIKey:
GJUHRGHAMTVXGB-UHFFFAOYSA-N

ID: 92724

SMILES:
CC1(C)C(CCC2(C)Oc3c(c(O)cc(CCCCC)c3)C(O)(C)CC2)CC=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -15.027

InChIKey:
DNANPFMFTACNDF-UHFFFAOYSA-N

ID: 92725

SMILES:
C1(C(=C)C)CCC(C)=CC1c1c(O)c(OC)cc(CCc2ccccc2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.513

CB1 binding score: -16.504

InChIKey:
DRLRTEJBBNJNND-UHFFFAOYSA-N

ID: 92726

SMILES:
C12C(C)(C)CCCC3(C)OC3C1c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -13.546

InChIKey:
LOJZVASMQHMIFN-UHFFFAOYSA-N

ID: 92727

SMILES:
CC=C(C)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -16.636

InChIKey:
CJFDNDUCFIPAMU-UHFFFAOYSA-N

ID: 92728

SMILES:
C1=C(C)CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 92729

SMILES:
CC1(C)C2CCC(=O)C=C2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -17.266

InChIKey:
KWVVHJXZVFZYPC-UHFFFAOYSA-N

ID: 92730

SMILES:
c1(C2C(C(=C)C)C(c3occc3CCC)C=C(C)C2)oc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -13.211

InChIKey:
UNOGKEGXAVSXSZ-UHFFFAOYSA-N

ID: 92731

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -20.081

InChIKey:
XLSYFQOJMWXOCT-UHFFFAOYSA-N

ID: 92732

SMILES:
C(C1(C)CCc2c(c3c(cc2C)OC(C=CC=C(C)C)C(C)=CC3)O1)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.545

CB1 binding score: -15.262

InChIKey:
HEFWCKPKTBAGRQ-UHFFFAOYSA-N

ID: 92733

SMILES:
C(C(=CCCC1(C)CC2c3c(O)cc(CCC)cc3OC(C)(C)C2CC1)O)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -14.902

InChIKey:
ZHKFLZDOXCDLAG-UHFFFAOYSA-N

ID: 92734

SMILES:
CC(C)=CCCC(=CCc1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 92735

SMILES:
CC1(C)Oc2c(c(O)c(C)c(OC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.551

InChIKey:
DRKREAPYJYJLSU-UHFFFAOYSA-N

ID: 92736

SMILES:
C1C2CC(C=O)=CCC2C(C)(C)Oc2cc(C(O)CCCCCC=C)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -17.308

InChIKey:
FSSVMIBPECYLCO-UHFFFAOYSA-N

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92716–92736 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