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Molecule Identifiers
Molecular Properties

ID: 106471

SMILES:
O(C)c1c(CC=C(CCC=C(C)C)C)c(O)cc(CCCO)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.145

InChIKey:
QOKXNBZSWKIZST-UHFFFAOYSA-N

ID: 106472

SMILES:
Oc1cc(CC=C(C)CCC=C(C)C)c(O)c(C=C(C=CC(C)(C)O)C(=O)O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -15.945

InChIKey:
ICXDNLMSFYXPMY-UHFFFAOYSA-N

ID: 106473

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: 106474

SMILES:
Oc1cc(C)c(C2C(C(=C)C)CCC(C)=C2)c(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.389

CB1 binding score: -18.017

InChIKey:
ARPGLGJCVMRRDM-UHFFFAOYSA-N

ID: 106475

SMILES:
Oc1c(OC)c(C2C(C(C)=C)C(c3c(OC)ccc(CC[N+](C)(C)C)c3)CC(C)=C2)cc(CCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 506.751

CB1 binding score: -15.929

InChIKey:
AJLRZOZNLOWXEP-UHFFFAOYSA-O

ID: 106476

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: 106477

SMILES:
Oc1c(O)c(CCCCC)cc2c1C1C(O2)C(C)(C)OC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -15.768

InChIKey:
XWUWIIMKSKWMPK-UHFFFAOYSA-N

ID: 106478

SMILES:
c1(C)c(CCc2cc3c(c(O)c2)CCC(C)(CC(=O)CC(C)C)O3)occ1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -14.999

InChIKey:
CHOJYAHPMCVPAJ-UHFFFAOYSA-N

ID: 106479

SMILES:
CC(COc1cc(C)c(C2C=C(C)CCC2C(C)=C)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -12.811

InChIKey:
SWYGBGZXHCGMBF-UHFFFAOYSA-N

ID: 106480

SMILES:
C(OCN1CC2(C)CCC(C(C)(O)C)C1c1c(O)cc(CCC)cc1OC2C)(C)=CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 431.617

CB1 binding score: -17.065

InChIKey:
VKJSGUYHKGRIQA-UHFFFAOYSA-N

ID: 106481

SMILES:
C1(C)=CC(c2c(O)cccc2OC)C(C(=C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.829

InChIKey:
FPBTVEQKCBCFLI-UHFFFAOYSA-N

ID: 106482

SMILES:
c1(O)c(CC2C(C)(C)CCCC2=C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.9

InChIKey:
VTNSZNLTOUVMCA-UHFFFAOYSA-N

ID: 106483

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 106484

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(C)c1ccc(C)c(O)c1-2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -18.957

InChIKey:
RKPJLXZTEWJEAM-UHFFFAOYSA-N

ID: 106485

SMILES:
Cc1c(OC)cc2c(c1)-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -18.805

InChIKey:
FPNAYBZLIGJJAV-UHFFFAOYSA-N

ID: 106486

SMILES:
CC(=O)OC1CC2C(C)(C)Oc3cc(C)cc(O)c3C2CC1=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -15.322

InChIKey:
WPKKANFMGNREGF-UHFFFAOYSA-N

ID: 106487

SMILES:
c1c(O)c(C2C=C(C)CCC2C(=C)C)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.225

InChIKey:
BEXSRXTVRHPHGL-UHFFFAOYSA-N

ID: 106488

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 398.631

CB1 binding score: -18.943

InChIKey:
QOVOSRUONCHPIN-UHFFFAOYSA-N

ID: 106489

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C=C(COC(=O)CCC(=O)OC)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.568

CB1 binding score: -16.192

InChIKey:
SCSWLNNUYLNDSJ-UHFFFAOYSA-N

ID: 106490

SMILES:
c1c(O)ccc2c1OC(C)(C)C1CC=C(CO)CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -17.198

InChIKey:
MAPAGNXEJQTXMR-UHFFFAOYSA-N

ID: 106491

SMILES:
c1cc(CCCCC)cc2c1C1C(C(=C)C)CCC(C)(C(O)=C1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -16.367

InChIKey:
SRAFQGVPXKTWPL-UHFFFAOYSA-N

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106471–106491 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