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Molecule Identifiers
Molecular Properties

ID: 108697

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -17.804

InChIKey:
PCPDYANHAZGWSK-UHFFFAOYSA-N

ID: 108698

SMILES:
Oc1cc(CCCCCC)cc2c1C1C(C(C)(C)O2)CCC(C(O)=O)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -17

InChIKey:
CGYHWLVCHKZQHO-UHFFFAOYSA-N

ID: 108699

SMILES:
C(COc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -14.962

InChIKey:
AZVXRXFPLLFSMD-UHFFFAOYSA-N

ID: 108700

SMILES:
c12c(cc(CCC)cc1O)OC(C)(C)C1C2C=C(C)C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -19.829

InChIKey:
JXXVDKGGZIPBOC-UHFFFAOYSA-N

ID: 108701

SMILES:
C12C(CC=C1C)C(C)(C)Oc1c2c(C)ccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -17.71

InChIKey:
MARBPSKAKODPNA-UHFFFAOYSA-N

ID: 108702

SMILES:
C1C=C(C=O)CC2C1C(C)(C)Oc1cc(CCCCC)cc(OC)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.502

InChIKey:
SXWWEECNJPNQGU-UHFFFAOYSA-N

ID: 108703

SMILES:
CC1=C2CC3(C)C(C(C)(C)Oc4cc(C)c(O)cc42)CCC13

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -15.377

InChIKey:
YNSZFRCHVANBHC-UHFFFAOYSA-N

ID: 108704

SMILES:
C1C(C)C2C(c3c(O)cc(CCCCC)cc3O1)CC(CC=C(C)C)C(=C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -13.044

InChIKey:
UPZXTKFGXDNGBT-UHFFFAOYSA-N

ID: 108705

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(CO)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.869

InChIKey:
IFNUFBMSVNDVNY-UHFFFAOYSA-N

ID: 108706

SMILES:
CC(C)C1CCC2(C)C1Oc1c(c(O)cc(CCCCC)c1)C1C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -11.803

InChIKey:
MOZWDHKMPYHHRD-UHFFFAOYSA-N

ID: 108707

SMILES:
C1CC(C)=CC2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 108708

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 108709

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 398.587

CB1 binding score: -18.498

InChIKey:
IXCOZTMGSJNGJA-UHFFFAOYSA-N

ID: 108710

SMILES:
C(=CCCC1(C)C(O)Cc2c(O)cc(CCC)cc2O1)C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -13.297

InChIKey:
KYOKTKDTFXSLLJ-UHFFFAOYSA-N

ID: 108711

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 108712

SMILES:
c1(O)c2c(cc(CC(=O)CC)c1O)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.395

InChIKey:
FHTYCNTWGLGRMJ-UHFFFAOYSA-N

ID: 108713

SMILES:
CC(C(Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)CC1)c1cc2ccccc2cc1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.654

CB1 binding score: -13.499

InChIKey:
YKODBZMOTZMPHL-UHFFFAOYSA-N

ID: 108714

SMILES:
O(C)c1c(C)cc(O)cc1C1C=C(C)CCC1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -17.36

InChIKey:
AXUDYIWWAKEDSF-UHFFFAOYSA-N

ID: 108715

SMILES:
c12c(OC)cc(CCCCC)cc1OC(C)(C)C1CC(=O)C(C(C)=C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -13.531

InChIKey:
LOBIUCLGXSMMCP-UHFFFAOYSA-N

ID: 108716

SMILES:
C(c1cc2c(c(O)c1)C1=C(C(C)(C)O2)CC(O)C(C)(CCC=C(C)C)O1)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -15.571

InChIKey:
WIPWXZKVOVCVJU-UHFFFAOYSA-N

ID: 108717

SMILES:
CC(CC)=CC(c1cc(O)c(C2CC(=O)C(CCC)=CC2C=C(C)C)c(O)c1)CC(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.652

CB1 binding score: -15.563

InChIKey:
YCSDHDKEQOBTSC-UHFFFAOYSA-N

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108697–108717 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