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Molecule Identifiers
Molecular Properties

ID: 135304

SMILES:
C12CC=C(C)C1(O)C1CC2C(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -14.767

InChIKey:
HTPQFOGRMNBYEE-UHFFFAOYSA-N

ID: 135305

SMILES:
C(C(C(=O)O)C)Cc1cc2c(c(O)c1)C1CC(C)(CCC1C(=C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.77

InChIKey:
XKBIXTIKTHTDPZ-UHFFFAOYSA-N

ID: 135306

SMILES:
CC1(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 135307

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 135308

SMILES:
C(C)(C1CCC(C)=CC1c1cc(CCCCC)cc(O)c1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -14.777

InChIKey:
QANWTUCHAXOIIR-UHFFFAOYSA-N

ID: 135309

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(C(=C)C)CCC(C)=C1C=C(C)C2=O)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.556

CB1 binding score: -15.391

InChIKey:
ZOUFUFSOVCTWDO-UHFFFAOYSA-N

ID: 135310

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.427

InChIKey:
RAGVEHIQPJSKMQ-UHFFFAOYSA-N

ID: 135311

SMILES:
Oc1c(O)cc(C)c(C2C=C(C)CCC2C(C)=C)c1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.929

InChIKey:
CHVJEJOTDRIPNT-UHFFFAOYSA-N

ID: 135312

SMILES:
c1c(O)c(C(=O)C2C(C)CCCC2(C)C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.181

InChIKey:
XIVQYDQYNDEEHK-UHFFFAOYSA-N

ID: 135313

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1C(O)CC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.072

InChIKey:
DJCKLUPKZRLTPE-UHFFFAOYSA-N

ID: 135314

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(CO)=CC=C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.206

InChIKey:
JGMXEVXWTGITIR-UHFFFAOYSA-N

ID: 135315

SMILES:
C1(c2ccc(O)cc2)Oc2cc(CCCCC)cc(O)c2C2CC(C)=CCC2C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.593

CB1 binding score: -15.871

InChIKey:
UUBWOIKCPIGGOX-UHFFFAOYSA-N

ID: 135316

SMILES:
C12C(C)(C)C(C1)C(O)CC1(C)Oc3cc(CCCCC)cc(O)c3C(O)C12O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -15.706

InChIKey:
CAWNZRASIYXZAH-UHFFFAOYSA-N

ID: 135317

SMILES:
O1C(C)(C)C2C(C)(c3c1ccc(C)c3)C=CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -15.897

InChIKey:
ZZUMGYSQGDNKLA-UHFFFAOYSA-N

ID: 135318

SMILES:
C1(C)=CC(c2cc(C(OC)=O)cc(CCCCC)c2)C(C(C)=C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -15.69

InChIKey:
UBLAJJLCVXRYMA-UHFFFAOYSA-N

ID: 135319

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.445

InChIKey:
OQYNYXYZSHEZSE-UHFFFAOYSA-N

ID: 135320

SMILES:
CC(=CC=CC(C)(C)O)C1C(c2cc(CCN(C)C)ccc2OC)C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 397.603

CB1 binding score: -16.868

InChIKey:
QVMLFIHGBNJKOC-UHFFFAOYSA-N

ID: 135321

SMILES:
Oc1c(CC=C(C)CCC=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: 135322

SMILES:
CC(=CCCC(C)=CCc1c(O)cc(CCC)cc1O)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -18.748

InChIKey:
UHRCXKCSCBRZGD-UHFFFAOYSA-N

ID: 135323

SMILES:
c1(CCCC)c(O)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.858

InChIKey:
FZZAMTZKBOQFCE-UHFFFAOYSA-N

ID: 135324

SMILES:
C1(C)=CC2c3c(cc(CCCCC)c(C(=O)OC)c3O)OC(C1C=C(C)C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -15.819

InChIKey:
BMVGVPYELHWCBU-UHFFFAOYSA-N

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135304–135324 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