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Molecule Identifiers
Molecular Properties

ID: 91288

SMILES:
C(CC(C)CCC=C(C)C)c1cc(O)cc(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -18.976

InChIKey:
HNBWNVFAMJVWRI-UHFFFAOYSA-N

ID: 91289

SMILES:
C(CCC)c1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.265

InChIKey:
KTPDAZGMXXWSMU-UHFFFAOYSA-N

ID: 91290

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -19.667

InChIKey:
FAVCTJGKHFHFHJ-UHFFFAOYSA-N

ID: 91291

SMILES:
C1=CC(C)(CCC=C(C)C)Oc2c1c(O)cc(CCCCC)c2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.334

InChIKey:
AGCCFGXZUUPBIN-UHFFFAOYSA-N

ID: 91292

SMILES:
C12(C)Oc3c(c(O)cc(CCCCC)c3)C3C1C(C(C(=C)C)CC2)CC=C3C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -13.6

InChIKey:
WMFNZKYGXHNDNX-UHFFFAOYSA-N

ID: 91293

SMILES:
c12cc(O)cc(CCCC)c1OC(C)(CCC=C(C)CCC=C(C)C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -15.981

InChIKey:
DQQPLEQJZIAJIL-UHFFFAOYSA-N

ID: 91294

SMILES:
CCCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -16.199

InChIKey:
KZENRGSZNAFOQN-UHFFFAOYSA-N

ID: 91295

SMILES:
C1CC2C1C(C)(C)Oc1c2c2c(cc1C)OC(C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -15.433

InChIKey:
SEVKGYVHMRABMT-UHFFFAOYSA-N

ID: 91296

SMILES:
C1CC(C)C2=C(c3c(cc(CCCCC)cc3O)OC2(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.947

InChIKey:
ZFKHGDFOBRVMII-UHFFFAOYSA-N

ID: 91297

SMILES:
c1(-c2cn(C)cc2)c(CCC)cc2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 349.518

CB1 binding score: -16.332

InChIKey:
JGVVOXOUDCPCOY-UHFFFAOYSA-N

ID: 91298

SMILES:
C1=C(C)C=CC(C(C)=C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -18.173

InChIKey:
QDFNZYRPLNNGTF-UHFFFAOYSA-N

ID: 91299

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -11.804

InChIKey:
INRQZQUBVWQKSN-UHFFFAOYSA-N

ID: 91300

SMILES:
O(C)c1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -18.286

InChIKey:
VBGLQLUQKZRKHZ-UHFFFAOYSA-N

ID: 91301

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.143

InChIKey:
CIVSDEYXXUHBPV-UHFFFAOYSA-N

ID: 91302

SMILES:
c1(O)cc2c(cc1)OC(C)(C)C1CC=C(C)CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.07

InChIKey:
LIEZPCZOEMYUIR-UHFFFAOYSA-N

ID: 91303

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.372

CB1 binding score: -16.278

InChIKey:
QVCNHCXGKCOFLQ-UHFFFAOYSA-N

ID: 91304

SMILES:
C(C)CCCCc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -17.784

InChIKey:
QPUHYZGLKQWEKI-UHFFFAOYSA-N

ID: 91305

SMILES:
C12(c3c(cc(CCCCC)cc3O)OC1O)C(=O)CC(C(=C)C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -17.089

InChIKey:
JDWAHYKOPNLWSW-UHFFFAOYSA-N

ID: 91306

SMILES:
O1c2c(ccc(CCCCC)c2)C2C(CO)=CCC1C2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -15.54

InChIKey:
BWHWFHZFDFRKFM-UHFFFAOYSA-N

ID: 91307

SMILES:
CC1=CCC2C(C1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 91308

SMILES:
C(CCCCCc1cc2c(c(O)c1)C1C(O2)C(O)(CCC=C(CCC=C(C)C)C)C(=O)O1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.65

CB1 binding score: -13.649

InChIKey:
QEHSUPZCTCCWQW-UHFFFAOYSA-N

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91288–91308 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