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Molecule Identifiers
Molecular Properties

ID: 107290

SMILES:
CCc1cc(O)c(C2C(O)C(C)(O)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.402

CB1 binding score: -17.974

InChIKey:
CVDDGUPFUBSEAT-UHFFFAOYSA-N

ID: 107291

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 107292

SMILES:
C1(C(C)C)(O)CCC(C(O)=O)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.466

CB1 binding score: -16.636

InChIKey:
OAENUNSKHJGBBW-UHFFFAOYSA-N

ID: 107293

SMILES:
O=Cc1c(OC)cc2c(c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -16.502

InChIKey:
BSFZFLSGLAYFQR-UHFFFAOYSA-N

ID: 107294

SMILES:
C=C(C)C=CCC1(C)Oc2c(c(O)cc(CCCCCC)c2)C=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -16.503

InChIKey:
KTCPWQHUVWUENR-UHFFFAOYSA-N

ID: 107295

SMILES:
C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C1C(C)(O1)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.791

InChIKey:
VSQGBNUBIDZRPJ-UHFFFAOYSA-N

ID: 107296

SMILES:
CC1(C)Oc2cc(CCCCC=C)c(C)c(O)c2CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -15.338

InChIKey:
VZQHAEGFAANCAT-UHFFFAOYSA-N

ID: 107297

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC1(C)OC1C(O)CC1(C)CC21CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.667

CB1 binding score: -15.239

InChIKey:
KSPZAMLYQZMVLX-UHFFFAOYSA-N

ID: 107298

SMILES:
C(C)(C=CC)(c1cc(O)c2c(c1O)CC(O)C(C)(C)O2)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -14.125

InChIKey:
ZPUAQZYZBUINFE-UHFFFAOYSA-N

ID: 107299

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C(C2)CC(C)(O)CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -12.46

InChIKey:
KAKOTAUGJQJTPP-UHFFFAOYSA-N

ID: 107300

SMILES:
CCCCc1cc(O)c2c(c1)OC(C(=C)C)C2O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: -13.713

InChIKey:
WWSUWOFCNLAVHO-UHFFFAOYSA-N

ID: 107301

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -18.331

InChIKey:
LILBTFSPJICHKR-UHFFFAOYSA-N

ID: 107302

SMILES:
c1c2c(ccc1C(=O)C)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.447

CB1 binding score: -17.04

InChIKey:
SFALFQGRBLXGNW-UHFFFAOYSA-N

ID: 107303

SMILES:
Oc1c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CCc2cc(O)cc(O)c2)c1

Pathway: Shikimates and Phenylpropanoids;Terpenoids

Superclass: Meroterpenoids;Stilbenoids

Class: Cannabinoids;Monomeric stilbenes

MW: 380.484

CB1 binding score: -17.127

InChIKey:
FYCNULBTDRBWDY-UHFFFAOYSA-N

ID: 107304

SMILES:
C12(O)C(CCC(C)=C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.313

InChIKey:
XIIAOXXFRJHRGJ-UHFFFAOYSA-N

ID: 107305

SMILES:
C(CCC)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.41

CB1 binding score: -19.327

InChIKey:
GGVVJZIANMUEJO-UHFFFAOYSA-N

ID: 107306

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 107307

SMILES:
CC(C)(O)C1CCC2(C)Oc3c(c(O)cc(CCC)c3)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.628

InChIKey:
BYJXCFVEFOUCGW-UHFFFAOYSA-N

ID: 107308

SMILES:
CC1=CC(=O)C2C(C)(C)Oc3cc(CCC(O)C)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.771

InChIKey:
BMRVAEJFWVWQSE-UHFFFAOYSA-N

ID: 107309

SMILES:
Cc1cc(OC)c(OC)cc1CC1C(C(OC)=O)C(C)(CCc2ccc(O)cc2)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.645

CB1 binding score: -17.347

InChIKey:
MBQLQPPPZYTLLA-UHFFFAOYSA-N

ID: 107310

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -15.461

InChIKey:
SJCREOXCTNZBQJ-UHFFFAOYSA-N

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107290–107310 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