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Molecule Identifiers
Molecular Properties

ID: 34063

SMILES:
c1(O)c(O)c(CCC)cc2c1C1C=C(C)CC(O)C1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -15.129

InChIKey:
SINXPADVMDFLDO-UHFFFAOYSA-N

ID: 34064

SMILES:
C12CC(O)(c3c(O)cc(CCCCC)cc3OC2(C)C)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.402

CB1 binding score: -13.18

InChIKey:
SYJXXUCQDUWJMK-UHFFFAOYSA-N

ID: 34065

SMILES:
C(C)(C1C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.371

InChIKey:
GSRXDBNJPHXNRM-UHFFFAOYSA-N

ID: 34066

SMILES:
C(C)CCc1cc(O)c2c(c1)C1C(C(C)(C)O2)CC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.1

InChIKey:
IGHPHANYGIPSNW-UHFFFAOYSA-N

ID: 34067

SMILES:
C1CC2(C(C)(C)CC(O)CC2=C)Oc2c1c(O)cc(CCCCC)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.048

InChIKey:
ZWYVLPNLUMMAHE-UHFFFAOYSA-N

ID: 34068

SMILES:
c1(CCCCCC)cc(O)c2c(c1)OC(C)(C)C1C2C(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.735

InChIKey:
DGGKAKRNTAJRCT-UHFFFAOYSA-N

ID: 34069

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 34070

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -20.03

InChIKey:
LXMICYYYVWWGAM-UHFFFAOYSA-N

ID: 34071

SMILES:
C1CC2(C)CCC(C(=C)C)C2c2c(c(CCCCC)cc(O)c21)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.574

InChIKey:
LKULRJUNVPSIDQ-UHFFFAOYSA-N

ID: 34072

SMILES:
Oc1cc(C)cc(O)c1C1C(C(=C)C)CC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.334

InChIKey:
OCTQIDRSDSFRBW-UHFFFAOYSA-N

ID: 34073

SMILES:
C1C(C=C(CO)CCC=C(C)C)Cc2c(C(=O)O)c(CCCC)cc(O)c21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -18.242

InChIKey:
GLFUEGAIMSTIBQ-UHFFFAOYSA-N

ID: 34074

SMILES:
C1(=O)c2c(c(O)cc(CCCCC)c2)C2=C(C(C)(C)O1)CC(O)C(C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -13.902

InChIKey:
AWKYICJZRBMEIH-UHFFFAOYSA-N

ID: 34075

SMILES:
CC(=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)CCC=C(C(=O)O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.476

CB1 binding score: -16.995

InChIKey:
XPNJKZHRKLTHCD-UHFFFAOYSA-N

ID: 34076

SMILES:
OC1C(OC(C)=O)C2C(CC1C)c1c(C)cccc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -15.318

InChIKey:
WJDXJNKUEIOEAY-UHFFFAOYSA-N

ID: 34077

SMILES:
c1(C2C(C(C)=C)CCC(C)=C2)c(O)c(CC=C(C)C)c(O)c(CC=C(C)C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -17.706

InChIKey:
UHYJRWCCMZMSFM-UHFFFAOYSA-N

ID: 34078

SMILES:
C1CCC(C)=C2c3c(O)cc(CCC)cc3OC(C)(C)C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.02

InChIKey:
SBJXLFLPYNSPMT-UHFFFAOYSA-N

ID: 34079

SMILES:
C(C)CCCc1cc(O)c2c(c1)OC(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: 34080

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 34081

SMILES:
C(C)CCCCCCCC(C)(C)c1cc2c(c(O)c1)C1C(C(=C)C)CCC2(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.659

CB1 binding score: -16.187

InChIKey:
SUJLKRYYQCANDV-UHFFFAOYSA-N

ID: 34082

SMILES:
CC(=CCCC(=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 34083

SMILES:
O(c1c(C)c(=O)c(C)c(C(CC)OC(=O)C)c2c1OC(C)(C)C1C2C=C(C)CC1)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 468.634

CB1 binding score: -15.195

InChIKey:
SQCLKADZWLJHOH-UHFFFAOYSA-N

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34063–34083 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