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Molecule Identifiers
Molecular Properties

ID: 36184

SMILES:
C12Cc3c(OC(=O)C)cc(CCCCC)cc3OC1(C)CCC(C(=C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -7.884

InChIKey:
GTSFEUOGRUFZJU-UHFFFAOYSA-N

ID: 36185

SMILES:
C(C(CCC=C(C)C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)CC=C(C)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.612

CB1 binding score: -15.478

InChIKey:
IUTBJYSGHCWKBB-UHFFFAOYSA-N

ID: 36186

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -18.748

InChIKey:
UHRCXKCSCBRZGD-UHFFFAOYSA-N

ID: 36187

SMILES:
CC1(C)C2C(C=C(CO)CC2)c2c(O)cc(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.668

InChIKey:
ULAFKXIIRFYROC-UHFFFAOYSA-N

ID: 36188

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 36189

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 36190

SMILES:
O1c2c3c(cc(O)c2CC1C)OC(C)(C)C1C3C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -12.868

InChIKey:
SEFOUOSIUKKIBW-UHFFFAOYSA-N

ID: 36191

SMILES:
CC1=C(CC(C)=CCCC(C)=CCc2cc(O)cc(C)c2O)C(C(C)(O)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.707

InChIKey:
LHIMBRQCOQZNAC-UHFFFAOYSA-N

ID: 36192

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 36193

SMILES:
C12C(C)(OO)C=CC1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -16.402

InChIKey:
VPZKFMWXAWUKOE-UHFFFAOYSA-N

ID: 36194

SMILES:
C1(CCC(=O)C)C(C)(C)Oc2cc(CCC)cc(O)c2C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.402

CB1 binding score: -14.624

InChIKey:
XYKDKWLWQOGROG-UHFFFAOYSA-N

ID: 36195

SMILES:
c1(CCCCC)c2c(c(O)cc1O)CC1(O)C2C=C(C)CCC1C(C)(OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -14.431

InChIKey:
CUDPENHZCNHQIT-UHFFFAOYSA-N

ID: 36196

SMILES:
c1(CCC)cc(O)c2c(c1)OC(C)(C)C1C(CC(C)=CC1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.749

InChIKey:
MRUGVLXWDPNBGL-UHFFFAOYSA-N

ID: 36197

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.198

InChIKey:
NUXUDGMVYZUFNQ-UHFFFAOYSA-N

ID: 36198

SMILES:
O1C(OC(C(C)C)=O)C2C(CC(O)C1=O)c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.448

CB1 binding score: -14.99

InChIKey:
QXLVOBFPGUCYSN-UHFFFAOYSA-N

ID: 36199

SMILES:
CC(=CCCC1(C)Oc2cc(CCCCC)cc(O)c2C=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 36200

SMILES:
C(CCCC)c1cc2c(c(OC)c1)C1C(CCC=C1C)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.4

InChIKey:
RRFRYSZMHRUJHZ-UHFFFAOYSA-N

ID: 36201

SMILES:
CC(C)(O)C=Cc1c(O)cc(CCCCC)cc1OC(=O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.402

CB1 binding score: -14.617

InChIKey:
JKMZPNPEKCFRRR-UHFFFAOYSA-N

ID: 36202

SMILES:
O(c1c(C)cccc1C)c1cc(CCCCC)cc2c1C1C(C(C)(C)O2)C=C(OC(C)=O)C(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 492.656

CB1 binding score: -16.505

InChIKey:
UNIPICQKJTWHDS-UHFFFAOYSA-N

ID: 36203

SMILES:
C1(c2c(O)cc(CCCCC)c(Br)c2)=CC(CCC)(OC(=O)C)C(C)CC1C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 491.51

CB1 binding score: -13.378

InChIKey:
UTDGAIUDHNRJAE-UHFFFAOYSA-N

ID: 36204

SMILES:
O1c2cc(CC=C(C)C)c(O)cc2C2CC(C)CCC2C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.699

InChIKey:
HBFKUKDAEZORJN-UHFFFAOYSA-N

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36184–36204 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