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Molecule Identifiers
Molecular Properties

ID: 101704

SMILES:
Oc1c(C2C=C(C)CCC2C(C)=C)cc(O)c(C(C)=O)c1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -14.044

InChIKey:
SAEFCDDBNOMFRS-UHFFFAOYSA-N

ID: 101705

SMILES:
c12c(c(O)cc(C)c1)C1(O)C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.824

InChIKey:
YVIFVQDDWLOZRC-UHFFFAOYSA-N

ID: 101706

SMILES:
C(Cc1c(O)ccc(O)c1C1(C)CCCC(C)(C)O1)CC(NC(=O)C)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 377.525

CB1 binding score: -13.776

InChIKey:
UHRFEJOXKAZUPJ-UHFFFAOYSA-N

ID: 101707

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 282.383

CB1 binding score: -21.105

InChIKey:
SVTKBAIRFMXQQF-UHFFFAOYSA-N

ID: 101708

SMILES:
C1(C(C)C)CC=C(C)C1=Cc1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.951

InChIKey:
LOFDHHWQJQUTOZ-UHFFFAOYSA-N

ID: 101709

SMILES:
Oc1c(C)cc(O)cc1CC=C(CCC=C(C)C1CCC(C)(C)O1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.083

InChIKey:
UAKFCLCNCSJFSQ-UHFFFAOYSA-N

ID: 101710

SMILES:
CC(CCCC(=O)C)(CCC1c2c(O)cc(CCCCCC)cc2OC1(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.619

CB1 binding score: -14.079

InChIKey:
OHRJOEHKMRILAZ-UHFFFAOYSA-N

ID: 101711

SMILES:
C1(C)(C)C2CC=C(C)C3(Oc4c(c(O)cc(C)c4)C3CC(=O)C)C2CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -11.945

InChIKey:
PSTZVYMNADYUNB-UHFFFAOYSA-N

ID: 101712

SMILES:
c1c(O)c2c(cc1CCC(O)=O)OC1(C)C(C(C)CCC=C1C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -13.579

InChIKey:
ULLGNHNMNGAGRG-UHFFFAOYSA-N

ID: 101713

SMILES:
CC1(C)Oc2c(ccc(CCCCC(C(=O)O)C)c2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -15.382

InChIKey:
FNBSCVHCGONESM-UHFFFAOYSA-N

ID: 101714

SMILES:
CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -20.121

InChIKey:
PJBASZVNRDGSFZ-UHFFFAOYSA-N

ID: 101715

SMILES:
C1(C)=CC2C(CC1)C(C)(C)Oc1c2cco1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 218.296

CB1 binding score: -17.792

InChIKey:
KRPULEPNRXMWAF-UHFFFAOYSA-N

ID: 101716

SMILES:
Oc1c(O)cc(C2C(C(=C)C)CCC(C)=C2)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.204

InChIKey:
MCOHBLINZXMLKV-UHFFFAOYSA-N

ID: 101717

SMILES:
c1(CCCC(O)C)ccc(O)c2c1OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: Not available

InChIKey:
WUGFWSXQIVTCSS-UHFFFAOYSA-N

ID: 101718

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)CC1)CC(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -13.356

InChIKey:
JBEUUIGXKGBZEU-UHFFFAOYSA-N

ID: 101719

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -17.424

InChIKey:
RNEPVFZCRSYIQR-UHFFFAOYSA-N

ID: 101720

SMILES:
C1(=O)CC2(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C(=O)c2c(c(O)cc(O)c2)C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.52

CB1 binding score: -17.634

InChIKey:
GQOSOZINKPDRQG-UHFFFAOYSA-N

ID: 101721

SMILES:
C12c3c(O)cc(CCCCC)cc3OC1(C)CCC2C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.251

InChIKey:
GIVNWDNDDALTHM-UHFFFAOYSA-N

ID: 101722

SMILES:
Oc1c(C2C(C(CO)C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.483

InChIKey:
NOBVLNKOMCEFJL-UHFFFAOYSA-N

ID: 101723

SMILES:
Oc1cc(CCCC)cc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.739

InChIKey:
WBRXESQKGXYDOL-UHFFFAOYSA-N

ID: 101724

SMILES:
c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.441

InChIKey:
UKTGXEQHQBLPRE-UHFFFAOYSA-N

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101704–101724 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