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Molecule Identifiers
Molecular Properties

ID: 135325

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: 135326

SMILES:
C1(Oc2c(O)c(CCC)cc(O)c2CC=C(CCC=C(C)CCC=C(C)C)C)=C(O)C(OC(=O)C)CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 526.714

CB1 binding score: -12.662

InChIKey:
UDNIBCINCHCSQA-UHFFFAOYSA-N

ID: 135327

SMILES:
O1c2cc(C)cc(O)c2C2C=C(C)CCC2C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -17.527

InChIKey:
FMJNAKPTTHESLW-UHFFFAOYSA-N

ID: 135328

SMILES:
C1CC(C)=CC(c2c(O)cc(CCC)cc2O)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 135329

SMILES:
CC(C)=CCCC1(C)Oc2c(c(OC)cc(CCCCC)c2)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.06

InChIKey:
KSDSETBZUIJIFF-UHFFFAOYSA-N

ID: 135330

SMILES:
c12c(cc(CCCCC)cc1O)C(=O)C1C(C(C)(C)O2)CCC1(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -14.795

InChIKey:
CLKITZUKTMULBV-UHFFFAOYSA-N

ID: 135331

SMILES:
c1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(CO)=CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.502

InChIKey:
WTZSOOCEVKOGPA-UHFFFAOYSA-N

ID: 135332

SMILES:
C12CC3(c4c(cc(CCCCC)cc4O)C1C(C)(C)OO3)C(=O)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.396

CB1 binding score: -12.129

InChIKey:
QMBLPNBPSJBEFM-UHFFFAOYSA-N

ID: 135333

SMILES:
c1(C2CC(C)=CC(c3c(O)cc(CCCCC)cc3O)C2C(C)=C)ccc(O)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.565

CB1 binding score: -15.321

InChIKey:
UWOTWPQFFJAZBM-UHFFFAOYSA-N

ID: 135334

SMILES:
C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)(C)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 135335

SMILES:
O1C(C)(C)C2Oc3cc(CCCCC)cc(O)c3CC2=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.502

InChIKey:
LTSWBTIHBAANDK-UHFFFAOYSA-N

ID: 135336

SMILES:
C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC)(C)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -18.309

InChIKey:
KQWJMEAIWXADAY-UHFFFAOYSA-N

ID: 135337

SMILES:
C(=CCCC(C)CCCC(C)=CCc1c(O)c(C)cc(O)c1)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.162

InChIKey:
GVVUQQWWMGBFAL-UHFFFAOYSA-N

ID: 135338

SMILES:
C1C2(O)C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CC=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -18.414

InChIKey:
IWKRFMSEMZZFNK-UHFFFAOYSA-N

ID: 135339

SMILES:
C1c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 234.339

CB1 binding score: -18.796

InChIKey:
BFFUWWHIAIGFJU-UHFFFAOYSA-N

ID: 135340

SMILES:
C1(C)(C)C2CCC(C)=CC2c2c(O)cc(CCCCCC)c(C(CCCCC)=O)c2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.641

CB1 binding score: -18.214

InChIKey:
QSKJCQLLRKCPOU-UHFFFAOYSA-N

ID: 135341

SMILES:
O=C(OC)c1c(CCCCC)cc2c(c1O)C1C(=C(C)C)CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -12.243

InChIKey:
UOJIDNKQYVXHDE-UHFFFAOYSA-N

ID: 135342

SMILES:
c12c(CCCCC)cc(OC)c(O)c1OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.396

InChIKey:
TVLATXVFTBEPEI-UHFFFAOYSA-N

ID: 135343

SMILES:
c1(O)c(C2C=C(C)CCC2C(C)=C)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: 135344

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 135345

SMILES:
C(COc1c(C(=O)OC)c(OC)c(C2C=C(C)CC(c3c(OC)cc(CCCCC)cc3OC)C2C(C)=C)c(O)c1)(c1ccc(OC)cc1)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 688.858

CB1 binding score: -16.032

InChIKey:
LQYVUZCSURGBBU-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