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Molecule Identifiers
Molecular Properties

ID: 103195

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.45

InChIKey:
MNJRXMSOZKGACN-UHFFFAOYSA-N

ID: 103196

SMILES:
C12C(C=C(C)C(=O)C(C3CC3(C)C(C)C(C(C)=CC)O)=O)C(C)=CCC1C(C)(C)Oc1cc3c(cc12)cc1c(c3)OC(C)(C)C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 640.861

CB1 binding score: -16.65

InChIKey:
FMCUGFAZXCFTMX-UHFFFAOYSA-N

ID: 103197

SMILES:
C(C(=O)c1c(O)c2c(c3c1OC(C)(C)C1C3CC(C)=CC1)C=CC(C)(C)O2)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.527

CB1 binding score: -14.544

InChIKey:
MTZZGKQYNYZMOR-UHFFFAOYSA-N

ID: 103198

SMILES:
C1(C)=CCC2C(C)(C)Oc3cc(O)c(Br)c(C)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 323.23

CB1 binding score: -15.647

InChIKey:
HWYHZVOLPDFEMV-UHFFFAOYSA-N

ID: 103199

SMILES:
CC1=CC(c2c(O)cc(CCCC(=O)O)cc2O)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -16.998

InChIKey:
PDVFZZOZSVUPFE-UHFFFAOYSA-N

ID: 103200

SMILES:
C1CC2Oc3c(O)c(C(=O)OC)c(CCCCC)cc3OC2(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -13.969

InChIKey:
MYKZPQMXDVUXNP-UHFFFAOYSA-N

ID: 103201

SMILES:
C(CCCCCCC)Cc1cc(OCC=C(C)C)cc(CC2(C)CCCC(C)=C2Cc2c(O)ccc(O)c2)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 532.809

CB1 binding score: -15.367

InChIKey:
UQLAJKAANBSGBW-UHFFFAOYSA-N

ID: 103202

SMILES:
c1(C(C)(C)C)cc(O)c2c(c1)OC1(C)C(C2)C(C(C)(C)O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -14.124

InChIKey:
ZLIKWLGQAWPPCY-UHFFFAOYSA-N

ID: 103203

SMILES:
C12(CC(O)CC1(C)C)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -15.064

InChIKey:
CJZFJSLRIDKQSD-UHFFFAOYSA-N

ID: 103204

SMILES:
C1c2c(O)cc(CCCCC)cc2OC(C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -19.22

InChIKey:
AHKIGVNVQSVNEP-UHFFFAOYSA-N

ID: 103205

SMILES:
C1(C)C2Cc3c(cc(O)c(C(=O)O)c3C)OC(C)(C)C2CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -14.187

InChIKey:
AWOSOSGXKZQVKT-UHFFFAOYSA-N

ID: 103206

SMILES:
C(CCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 103207

SMILES:
O(C12CCC(C)=CC1c1c(cc(CCCCC)cc1OC(CCCCCCC)=O)OC2(C)C)C1C(O)C(O)C(O)C(CO)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 618.808

CB1 binding score: -13.166

InChIKey:
MRDDBWOZMCIGSY-UHFFFAOYSA-N

ID: 103208

SMILES:
c1(O)c2c(ccc1O)OC(C)(C)C1CCC(C)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -17.493

InChIKey:
ITYHJPGRQYSNFQ-UHFFFAOYSA-N

ID: 103209

SMILES:
CC1(C)OC(=O)c2c3c(c(O)c(O)c21)C1C=C(C)CCC1C(C)(C)O3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.407

CB1 binding score: -14.385

InChIKey:
CLUOROJZGDEJIN-UHFFFAOYSA-N

ID: 103210

SMILES:
C12C(c3cc(O)c(C)cc3OC1(C)C)CC(=C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.065

InChIKey:
SELBXHQOJCXJSE-UHFFFAOYSA-N

ID: 103211

SMILES:
CC(C1CCc2c(c(O)cc(CCCCC)c2)C1C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.448

CB1 binding score: -16.119

InChIKey:
OEQHZKLPBLYZJU-UHFFFAOYSA-N

ID: 103212

SMILES:
CC(C)c1cc(O)c2c(c1)OC(C=C(C)CCC=C(C)C)CC2CO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.929

InChIKey:
YXXBNNIOMLPSRX-UHFFFAOYSA-N

ID: 103213

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -16.705

InChIKey:
YKUNZXHVAIWLLV-UHFFFAOYSA-N

ID: 103214

SMILES:
C1c2c(cc(CCCCC)cc2OC)OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -18.023

InChIKey:
HRFIYIMOSPHATP-UHFFFAOYSA-N

ID: 103215

SMILES:
c1(CCCCCC)ccc2c(c1)CC1C(C)(O2)CCC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -16.502

InChIKey:
ONNJLTHESJOKGX-UHFFFAOYSA-N

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103195–103215 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