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Molecule Identifiers
Molecular Properties

ID: 46915

SMILES:
C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 46916

SMILES:
c1(CCCCC)cc(O)cc2c1OC(C)(C)C1CCC(CO)(O)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -12.516

InChIKey:
SHNOYBRUCCGTMB-UHFFFAOYSA-N

ID: 46917

SMILES:
c1(C=O)c(O)c(OC)c(C(C)C)c2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -17.872

InChIKey:
QTZQYXWENJETDT-UHFFFAOYSA-N

ID: 46918

SMILES:
C(CC(C)C)Cc1c(C)cc(O)c(CC=C(CCC=C(C)C)C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -16.491

InChIKey:
FTNQKDRCXQFBKX-UHFFFAOYSA-N

ID: 46919

SMILES:
C(=O)(C)c1c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -17.469

InChIKey:
IMLDJKHDZRYRAO-UHFFFAOYSA-N

ID: 46920

SMILES:
CC(C)=CCC1C(C)(C)Oc2c(c(O)cc(CCC)c2)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Miscellaneous meroterpenoids

MW: 304.43

CB1 binding score: -14.767

InChIKey:
ZMEUFHPPBSEBDV-UHFFFAOYSA-N

ID: 46921

SMILES:
C12C(O)(c3c(cc(CCCCC)cc3O)OC1(C)C)C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.313

InChIKey:
XIIAOXXFRJHRGJ-UHFFFAOYSA-N

ID: 46922

SMILES:
C1CC2C(C)(C)Oc3c(c(O)cc(C)c3)C2CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -18.804

InChIKey:
NJEVKSYKELTXNY-UHFFFAOYSA-N

ID: 46923

SMILES:
C(c1cc2c(c(CCCCC)c1)C1C(CCC(CO)=C1)C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -15.745

InChIKey:
NQDHZESDHXNTPT-UHFFFAOYSA-N

ID: 46924

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)-c2c(ccc(O)c2C(C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -15.05

InChIKey:
FNMJEFQRBIJUDD-UHFFFAOYSA-N

ID: 46925

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -19.667

InChIKey:
FAVCTJGKHFHFHJ-UHFFFAOYSA-N

ID: 46926

SMILES:
C1(C)=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 46927

SMILES:
C1CC(C)=CCCC2(C)Oc3c(O)c(OC)cc(CCCCC)c3C2C1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -13.697

InChIKey:
VLXHYULSHRMHIW-UHFFFAOYSA-N

ID: 46928

SMILES:
C1C(C)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 46929

SMILES:
C(=O)(O)C1=CCC2C(C)(C)Oc3cc(CCCCC)c(C(=O)O)c3c2C1C=CC(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.537

CB1 binding score: -13.845

InChIKey:
QBCGSRGSTKLKJQ-UHFFFAOYSA-N

ID: 46930

SMILES:
C1(C)(C)Oc2cc(CCCCO)cc(O)c2C2CC(C)=CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.578

InChIKey:
VWFFDRSNKWHXJK-UHFFFAOYSA-N

ID: 46931

SMILES:
c1(O)cc(CCCC)cc2c1C1C(C3=C(C)C(O)CC3C(C)(C)O1)OC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -13.553

InChIKey:
VAIXLRSGKHVJCX-UHFFFAOYSA-N

ID: 46932

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -17.117

InChIKey:
WSEAPRGXYHIJSG-UHFFFAOYSA-N

ID: 46933

SMILES:
COc1c(OC)c(CCC)cc2c1OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.506

InChIKey:
QXVOZJZZWPRURN-UHFFFAOYSA-N

ID: 46934

SMILES:
C1(=C)CCC2Oc3c(C(OC)=O)c(CCCCC)cc(O)c3C(C1)C2C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -15.573

InChIKey:
SBZPVDYQWROZSD-UHFFFAOYSA-N

ID: 46935

SMILES:
C(=O)(C(C)C=C(C)C)C(c1c2c(c(OC)c3c1c(C)ccc3)OC(C)(C)C1CCC(C)=CC21)CC(=C)CCCC(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 570.858

CB1 binding score: -13.651

InChIKey:
ZJRDXLVJDOJGJM-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties