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Molecule Identifiers
Molecular Properties

ID: 118756

SMILES:
C(C)(=CCc1c(O)cc(CCC)cc1OC)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.187

InChIKey:
ZKXZJUZIDUHJLH-UHFFFAOYSA-N

ID: 118757

SMILES:
C(C(C)=CCc1c(O)cc(CCCCC)cc1Oc1c(O)cc(CCC)cc1O)CC=C(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 534.781

CB1 binding score: -15.894

InChIKey:
CCVNQKGLXLNBSE-UHFFFAOYSA-N

ID: 118758

SMILES:
C(C=C(C)CCC=C1COC(C(C)C)(C)CC1)CC(C)=CCc1c(O)c(C)cc(Oc2cc(O)cc(C)c2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 532.765

CB1 binding score: -15.116

InChIKey:
WOZXSFZVVSSTQQ-UHFFFAOYSA-N

ID: 118759

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.389

CB1 binding score: -18.317

InChIKey:
BLBMZPIDLRMSIY-UHFFFAOYSA-N

ID: 118760

SMILES:
c12cccc(O)c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.281

InChIKey:
KZTIITBECKQIPO-UHFFFAOYSA-N

ID: 118761

SMILES:
C(O)(C(O)C1C(C)(C)O1)CC1(C)Oc2c(c(OC(=O)C)c(CCCCC)cc2O)CC1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.572

CB1 binding score: -13.968

InChIKey:
OBJLAGWIYOIZDV-UHFFFAOYSA-N

ID: 118762

SMILES:
C1CC(C=O)=CC(C=C(CCC=C(C)C)C)C1c1c(O)cc(CCCCC)c(C(O)=O)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.607

CB1 binding score: -15.519

InChIKey:
LWDXWJIYKKIZOX-UHFFFAOYSA-N

ID: 118763

SMILES:
C1(=O)CC(C)=CC(c2c(O)cc(CCCCC)cc2O)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.941

InChIKey:
LDRDBOFHNCELPZ-UHFFFAOYSA-N

ID: 118764

SMILES:
CC1(C)C2=CC(=O)C(C)(O)CC2c2c(O)c(Br)cc(CCCCCC)c2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 437.374

CB1 binding score: -11.575

InChIKey:
WCOCNWVDWDXHKP-UHFFFAOYSA-N

ID: 118765

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(=C(C)C2)C(=O)C(O)=C(C)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -12.476

InChIKey:
KJZGVFMPPRVGRQ-UHFFFAOYSA-N

ID: 118766

SMILES:
C12C(OCC1C)Oc1c2c(OC)cc(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -15.044

InChIKey:
KAKYZPKLGVQUDB-UHFFFAOYSA-N

ID: 118767

SMILES:
C1(C)(C)Oc2c(c(O)c(C(OC)=O)c(CCCCC)c2)C2C1C=C(C)C(=O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -15.178

InChIKey:
XVZOUEZZPNZWMM-UHFFFAOYSA-N

ID: 118768

SMILES:
CC(OCC1=CC2c3c(cc(CCCCC)cc3O)OC(C(C)(C)O2)CC1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -12.308

InChIKey:
MJNCNKAYHOGVDU-UHFFFAOYSA-N

ID: 118769

SMILES:
C1C(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 118770

SMILES:
C(CC)CCc1cc(O)c(C2C=C(C)CCC2(O)C(C)=C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.633

InChIKey:
NZEQHPBPDONGRM-UHFFFAOYSA-N

ID: 118771

SMILES:
CC(C)CC1(O)CCC(C)=CC1c1c(O)cc(CC(CCCc2ccccc2)=O)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: -16.209

InChIKey:
YOMPVYOGAXXWPD-UHFFFAOYSA-N

ID: 118772

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC2C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 118773

SMILES:
C1C(C)=CC2C(C(C)(C)Oc3cc(CCCC)cc(c32)CC)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -16.281

InChIKey:
HODDPAGTOMSMHZ-UHFFFAOYSA-N

ID: 118774

SMILES:
Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 118775

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)Cc1ccc(O)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.539

CB1 binding score: -16.82

InChIKey:
WEPKARLDRAPXFF-UHFFFAOYSA-N

ID: 118776

SMILES:
CC(C)(c1cc(O)c2c(c1)OC1(c3ccccc3)C(=O)C3(C)CCC(C(C)(O)C)C(C13)C2)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.575

CB1 binding score: -14.609

InChIKey:
XQCIHDZVSVJOJB-UHFFFAOYSA-N

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118756–118776 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