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Molecule Identifiers
Molecular Properties

ID: 24697

SMILES:
C1(O)C(C)=CCC(C(=C)C)C1c1c(O)cc(CCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.929

InChIKey:
MFOWPONZLDJIQT-UHFFFAOYSA-N

ID: 24698

SMILES:
C1(C)=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CCC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.93

InChIKey:
FZPPNPGAXWJGMQ-UHFFFAOYSA-N

ID: 24699

SMILES:
C1(Cc2c(O)cc(CCCCC)cc2O)=C(C)CCCC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.502

InChIKey:
BXSAWMQNDRARAR-UHFFFAOYSA-N

ID: 24700

SMILES:
C1(C)(O)CCC2C(C)(C)Oc3c(c(OC)cc(CCCCCC)c3)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.901

InChIKey:
QJEQSKRFGHMKBO-UHFFFAOYSA-N

ID: 24701

SMILES:
C1(C(C)C)C(c2c(O)cc(CCCCC)cc2OC2CC(C)=CCC2)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.642

CB1 binding score: Not available

InChIKey:
BFLWYLXPJSWKNY-UHFFFAOYSA-N

ID: 24702

SMILES:
c1(CCC)cc2c(c(O)c1)C1CC(CO)C=CC1(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -12.999

InChIKey:
YCLCRENPRNWAKK-UHFFFAOYSA-N

ID: 24703

SMILES:
C1(C)=CC2c3c(cc(CCCCC)cc3O)OC1C1C(CC2)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -16.502

InChIKey:
DQVCQOGRVMSXQZ-UHFFFAOYSA-N

ID: 24704

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.619

CB1 binding score: -18.634

InChIKey:
SNYYKBLDQCTDDG-UHFFFAOYSA-N

ID: 24705

SMILES:
C1(c2c(O)cc(CCCCC)c(C(=O)O)c2O)OC(C(C)(O)C)CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.427

CB1 binding score: -15.388

InChIKey:
UWIPVFUGIYTOAK-UHFFFAOYSA-N

ID: 24706

SMILES:
c12c(cc(CCCC)cc1)OC(C)(C)C1CCC(=C)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.416

CB1 binding score: -16.249

InChIKey:
KIGFTWRHBQUDFC-UHFFFAOYSA-N

ID: 24707

SMILES:
C1=C(C)CCC=C(C)CCC2C(CO)(C)Oc3c(c(O)cc(CCCCC)c3)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -17.145

InChIKey:
SOGIYZSHINIOIG-UHFFFAOYSA-N

ID: 24708

SMILES:
C1C(C)=CC(c2ccc(CCCCC)cc2)C(C(C)=C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.498

CB1 binding score: -16.943

InChIKey:
ONZLRBIRSKIRIG-UHFFFAOYSA-N

ID: 24709

SMILES:
O=Cc1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -18.286

InChIKey:
NQFUEDHWQJVOKZ-UHFFFAOYSA-N

ID: 24710

SMILES:
c12c(c(O)c(CC=C(C)CCC=C(C)C)c(O)c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -16.841

InChIKey:
HMXZYHSYEFISFP-UHFFFAOYSA-N

ID: 24711

SMILES:
C1(C)(C)C2C(c3c(c(O)c(C)cc3O)OC2(C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -14.512

InChIKey:
IDZVNLVZZMWNLD-UHFFFAOYSA-N

ID: 24712

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C(C)(CC(O)C3C2(C)CCC(O)C3(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: -13.207

InChIKey:
GUVFAMNMKFGKPB-UHFFFAOYSA-N

ID: 24713

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 24714

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(O)=O)CC21)CC=CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: Not available

InChIKey:
WNUBRDZRWYMRCM-UHFFFAOYSA-N

ID: 24715

SMILES:
c1c(O)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.988

InChIKey:
FDECQIAQAVZRFF-UHFFFAOYSA-N

ID: 24716

SMILES:
C1(C)=CC2c3c(cc(O)c(C)c3OC1)C(CCC(C)(C)OC(=O)C)(C(C)=O)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -15.395

InChIKey:
KHFHHWGAITXAGF-UHFFFAOYSA-N

ID: 24717

SMILES:
c1c(CCCC)c(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.695

InChIKey:
WSKMUJIWPUNQEU-UHFFFAOYSA-N

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24697–24717 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